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[1-[2-(4-Morpholinyl)ethyl]-1H-indol-3-yl]-1-naphthalenylmethanone
[1-[2-(4-Morpholinyl)ethyl]-1H-indol-3-yl]-1-naphthalenylmethanone ID: API-28967
CAS:103610-04-4
Supplier:APIchem

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SMILES:C(=O)(c1cccc2ccccc12)c1cn(c2c1cccc2)CCN1CCOCC1	
FORMULA: C25H24N2O2
MASS: 384.4703
EXACT MASS: 384.1837780
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.4148     0.0000 
   C   3    0.7185     0.4149     0.0000 
   C   4    1.0975     0.7185     0.4148     0.0000 
   C   5    1.2445     0.8297     0.7186     0.4148     0.0000 
   C   6    1.0976     0.7185     0.8297     0.7185     0.4148     0.0000 
   C   7    1.4371     1.0976     1.2446     1.0976     0.7186     0.4149 
   C   8    1.4957     1.2445     1.4958     1.4371     1.0976     0.7186 
   C   9    1.2445     1.0975     1.4371     1.4957     1.2445     0.8297 
   C  10    0.8297     0.7185     1.0976     1.2445     1.0976     0.7186 
   C  11    0.7185     0.4148     0.7186     0.8297     0.7186     0.4149 
   O  12    0.4149     0.7186     1.0976     1.4371     1.4958     1.2446 
   N  13    1.0735     1.2869     1.2042     1.5716     1.9225     1.9753 
   C  14    0.7393     0.8848     0.7942     1.1761     1.5126     1.5620 
   C  15    0.4148     0.7291     0.8482     1.2630     1.5110     1.4475 
   C  16    0.7393     1.1180     1.2625     1.6774     1.9207     1.8289 
   C  17    0.9367     1.3506     1.5813     1.9908     2.1794     2.0182 
   C  18    1.3469     1.7587     1.9644     2.3778     2.5853     2.4327 
   C  19    1.5556     1.9463     2.0761     2.4889     2.7490     2.6523 
   C  20    1.4453     1.7927     1.8448     2.2460     2.5487     2.5112 
   C  21    1.0735     1.3946     1.4302     1.8314     2.1359     2.1122 
   C  22    1.4603     1.6181     1.4510     1.7628     2.1499     2.2659 
   C  23    1.5989     1.6540     1.3908     1.6216     2.0313     2.2198 
   C  24    2.6469     2.6158     2.2669     2.3435     2.7473     3.0415 
   C  25    2.2346     2.2018     1.8577     1.9550     2.3641     2.6430 
   N  26    2.0132     2.0528     1.7624     1.9451     2.3598     2.5838 
   C  27    2.2640     2.3612     2.1093     2.3270     2.7399     2.9381 
   C  28    2.6717     2.7513     2.4773     2.6618     3.0766     3.3012 
   O  29    2.8423     2.8642     2.5460     2.6690     3.0800     3.3477 

              C   7      C   8      C   9      C  10      C  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    0.4148     0.0000 
   C   9    0.7185     0.4148     0.0000 
   C  10    0.8297     0.7186     0.4148     0.0000 
   C  11    0.7186     0.8297     0.7185     0.4148     0.0000 
   O  12    1.4958     1.4371     1.0976     0.7186     0.8297     0.0000 
   N  13    2.3757     2.5231     2.3122     1.8984     1.6976     1.3691 
   C  14    1.9649     2.1282     1.9433     1.5348     1.2990     1.1022 
   C  15    1.8165     1.9047     1.6589     1.2441     1.1043     0.7074 
   C  16    2.1763     2.2155     1.9206     1.5156     1.4578     0.8476 
   C  17    2.3186     2.2837     1.9371     1.5652     1.6156     0.8467 
   C  18    2.7320     2.6860     2.3279     1.9680     2.0304     1.2507 
   C  19    2.9855     2.9845     2.6500     2.2681     2.2694     1.5536 
   C  20    2.8764     2.9326     2.6379     2.2341     2.1598     1.5541 
   C  21    2.4871     2.5692     2.3005     1.8889     1.7756     1.2521 
   C  22    2.6768     2.8626     2.6818     2.2719     2.0329     1.7780 
   C  23    2.6345     2.8736     2.7500     2.3558     2.0572     1.9682 
   C  24    3.4385     3.7473     3.6999     3.3343     2.9830     3.0373 
   C  25    3.0446     3.3439     3.2880     2.9202     2.5720     2.6280 
   N  26    2.9964     3.2561     3.1503     2.7610     2.4493     2.3826 
   C  27    3.3528     3.5893     3.4521     3.0511     2.7690     2.6015 
   C  28    3.7142     3.9678     3.8465     3.4495     3.1544     3.0144 
   O  29    3.7532     4.0403     3.9601     3.5782     3.2506     3.2118 

              N  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   N  13    0.0000 
   C  14    0.4148     0.0000 
   C  15    0.6713     0.4149     0.0000 
   C  16    0.6713     0.6713     0.4149     0.0000 
   C  17    1.0637     1.0804     0.7579     0.4148     0.0000 
   C  18    1.2385     1.3727     1.1205     0.7185     0.4149     0.0000 
   C  19    1.1205     1.3727     1.2385     0.8297     0.7186     0.4149 
   C  20    0.7579     1.0804     1.0637     0.7185     0.8297     0.7186 
   C  21    0.4149     0.6712     0.6713     0.4149     0.7185     0.8297 
   C  22    0.4148     0.7392     1.0735     1.0735     1.4453     1.5556 
   C  23    0.7185     0.8664     1.2698     1.3822     1.7816     1.9393 
   C  24    1.8082     1.9413     2.3539     2.4774     2.8705     2.9899 
   C  25    1.4370     1.5368     1.9511     2.0983     2.5000     2.6497 
   N  26    1.0975     1.2811     1.6824     1.7687     2.1559     2.2723 
   C  27    1.2445     1.5257     1.8944     1.8944     2.2443     2.2857 
   C  28    1.6593     1.9325     2.3071     2.3071     2.6507     2.6726 
   O  29    1.9010     2.1107     2.5098     2.5685     2.9374     3.0001 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    0.4149     0.0000 
   C  21    0.7185     0.4148     0.0000 
   C  22    1.3469     0.9367     0.7393     0.0000 
   C  23    1.7560     1.3489     1.1104     0.4148     0.0000 
   C  24    2.7451     2.3308     2.1757     1.4370     1.0976     0.0000 
   C  25    2.4381     2.0242     1.8239     1.0976     0.7186     0.4148 
   N  26    2.0392     1.6244     1.4573     0.7185     0.4148     0.7186 
   C  27    1.9910     1.5861     1.5258     0.8297     0.7185     0.8296 
   C  28    2.3568     1.9623     1.9325     1.2445     1.0975     0.7186 
   O  29    2.7094     2.3042     2.2221     1.4957     1.2445     0.4149 

              C  25      N  26      C  27      C  28      O  29
              -------------------------------------------------------
   C  25    0.0000 
   N  26    0.4149     0.0000 
   C  27    0.7185     0.4148     0.0000 
   C  28    0.8297     0.7185     0.4148     0.0000 
   O  29    0.7185     0.8297     0.7185     0.4149     0.0000 



ATOMIC CHARGES
   C   1    0.1970317470
   C   2    0.0390004866
   C   3    0.0031793833
   C   4    0.0001016466
   C   5    0.0000025350
   C   6    0.0000991257
   C   7    0.0000012625
   C   8    0.0000000101
   C   9    0.0000012675
   C  10    0.0001003781
   C  11    0.0030802698
   O  12   -0.2865207213
   N  13   -0.3245250799
   C  14    0.0791174417
   C  15    0.0575216663
   C  16    0.0203267029
   C  17    0.0015833324
   C  18    0.0000981236
   C  19    0.0014814101
   C  20    0.0171881521
   C  21    0.0600552043
   C  22    0.1233492861
   C  23    0.0969974746
   C  24    0.1594889316
   C  25    0.1046727543
   N  26   -0.2667811461
   C  27    0.1046727543
   C  28    0.1594889316
   O  29   -0.3508133308


BOND ANGLES
   2    1   12  Car   C2   O2    120.005
   2    1   15  Car   C2  Car    123.007
  12    1   15   O2   C2  Car    116.988
   3    2   11  Car  Car  Car    120.019
   1    2    3   C2  Car  Car    119.986
   1    2   11   C2  Car  Car    119.995
   2    3    4  Car  Car  Car    119.986
   3    4    5  Car  Car  Car    120.009
   4    5    6  Car  Car  Car    119.996
   5    6    7  Car  Car  Car    120.013
   5    6   11  Car  Car  Car    120.013
   7    6   11  Car  Car  Car    119.975
   6    7    8  Car  Car  Car    120.013
   7    8    9  Car  Car  Car    119.996
   8    9   10  Car  Car  Car    120.009
   9   10   11  Car  Car  Car    119.996
   2   11   10  Car  Car  Car    120.009
   6   11   10  Car  Car  Car    120.013
   2   11    6  Car  Car  Car    119.978
  14   13   21  Car  Nar  Car    107.999
  14   13   22  Car  Nar   C3    126.001
  21   13   22  Car  Nar   C3    126.001
  13   14   15  Nar  Car  Car    108.014
  14   15   16  Car  Car  Car    107.991
   1   15   14   C2  Car  Car    126.009
   1   15   16   C2  Car  Car    126.001
  15   16   17  Car  Car  Car    132.000
  15   16   21  Car  Car  Car    107.998
  17   16   21  Car  Car  Car    120.002
  16   17   18  Car  Car  Car    120.003
  17   18   19  Car  Car  Car    119.995
  18   19   20  Car  Car  Car    119.995
  19   20   21  Car  Car  Car    120.003
  13   21   20  Nar  Car  Car    132.000
  16   21   20  Car  Car  Car    120.002
  13   21   16  Nar  Car  Car    107.998
  13   22   23  Nar   C3   C3    120.011
  22   23   26   C3   C3   N3    120.011
  25   24   29   C3   C3   O3    119.997
  24   25   26   C3   C3   N3    120.009
  25   26   27   C3   N3   C3    119.984
  23   26   25   C3   N3   C3    120.009
  23   26   27   C3   N3   C3    120.007
  26   27   28   N3   C3   C3    120.020
  27   28   29   C3   C3   O3    119.995
  24   29   28   C3   O3   C3    119.995


TORSION ANGLES
  11    2    3    4      0.026
   1    2    3    4    179.974
   2    3    4    5      0.026
   3    4    5    6      0.026
   4    5    6    7    179.974
   4    5    6   11      0.026
   5    6    7    8    179.974
  11    6    7    8      0.026
   6    7    8    9      0.026
   7    8    9   10      0.026
   8    9   10   11      0.026
   9   10   11    2    179.974
   9   10   11    6      0.026
   3    2   11   10    179.974
   3    2   11    6      0.026
   1    2   11   10      0.026
   1    2   11    6    179.974
   5    6   11   10    179.974
   5    6   11    2      0.026
   7    6   11   10      0.026
   7    6   11    2    179.974
  12    1    2    3    179.974
  12    1    2   11      0.026
  15    1    2    3      0.026
  15    1    2   11    179.974
  21   13   14   15      0.026
  22   13   14   15    179.974
  13   14   15   16      0.026
  13   14   15    1    179.974
  14   15   16   17    179.974
  14   15   16   21      0.026
   1   15   16   17      0.026
   1   15   16   21    179.974
  15   16   17   18    179.974
  21   16   17   18      0.026
  16   17   18   19      0.026
  17   18   19   20      0.026
  18   19   20   21      0.026
  19   20   21   13    179.974
  19   20   21   16      0.026
  14   13   21   20    179.974
  14   13   21   16      0.026
  22   13   21   20      0.026
  22   13   21   16    179.974
  15   16   21   20    179.974
  15   16   21   13      0.026
  17   16   21   20      0.026
  17   16   21   13    179.974
  13   22   23   26    179.974
  29   24   25   26      0.026
  24   25   26   27      0.026
  24   25   26   23    179.974
  25   26   27   28      0.026
  23   26   27   28    179.974
  26   27   28   29      0.026
  27   28   29   24      0.026
  25   24   29   28      0.026
  22   23   26   25    179.974
  22   23   26   27      0.026
  14   13   22   23      0.026
  21   13   22   23    179.974
   2    1   15   14      0.026
   2    1   15   16    179.974
  12    1   15   14    179.974
  12    1   15   16      0.026