
 CHEMBL8949

 49 52  0  0  0  0  0  0  0  0999 V2000
    0.5966   -4.7837   -0.9425 C   0  0  0  0  0
    0.3895   -4.1917   -2.1885 C   0  0  0  0  0
    1.1716   -3.1054   -2.5868 C   0  0  0  0  0
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    2.3559   -3.1948   -0.4793 C   0  0  0  0  0
    1.5792   -4.2863   -0.0878 C   0  0  0  0  0
    3.0228   -1.4780   -2.1714 C   0  0  0  0  0
    2.6994   -0.2222   -1.7865 C   0  0  0  0  0
    1.5073    0.2432   -1.0050 C   0  0  0  0  0
    0.7543    1.1095   -1.8848 N   0  0  0  0  0
    0.5785    2.4524   -1.6347 C   0  0  0  0  0
    0.9933    3.0192   -0.6315 O   0  0  0  0  0
   -0.1856    3.2192   -2.6608 C   0  0  0  0  0
   -0.9069    4.3478   -2.2493 C   0  0  0  0  0
   -1.6418    5.1104   -3.1728 C   0  0  0  0  0
   -2.3773    6.2372   -2.7708 C   0  0  0  0  0
   -3.1044    6.9838   -3.6995 C   0  0  0  0  0
   -3.1047    6.6153   -5.0414 C   0  0  0  0  0
   -2.3767    5.4997   -5.4584 C   0  0  0  0  0
   -1.6408    4.7370   -4.5367 C   0  0  0  0  0
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    4.2508   -1.6873   -2.9990 C   0  0  0  0  0
    5.0262   -2.8460   -2.8314 C   0  0  0  0  0
    6.1631   -3.0738   -3.6128 C   0  0  0  0  0
    6.5417   -2.1483   -4.5807 C   0  0  0  0  0
    5.7786   -1.0007   -4.7747 C   0  0  0  0  0
    4.6383   -0.7770   -3.9969 C   0  0  0  0  0
   -0.0048   -5.6372   -0.6394 H   0  0  0  0  0
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    1.0147   -2.6625   -3.5670 H   0  0  0  0  0
    3.1280   -2.8202    0.1892 H   0  0  0  0  0
    1.7462   -4.7526    0.8798 H   0  0  0  0  0
    3.3682    0.5990   -2.0420 H   0  0  0  0  0
    1.8345    0.7776   -0.1081 H   0  0  0  0  0
    0.8375   -0.5635   -0.6987 H   0  0  0  0  0
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   -3.6692    7.8535   -3.3735 H   0  0  0  0  0
   -3.6701    7.1969   -5.7651 H   0  0  0  0  0
   -2.3879    5.2305   -6.5123 H   0  0  0  0  0
   -0.8731    3.3264   -5.9905 H   0  0  0  0  0
    0.4192    2.0257   -4.3698 H   0  0  0  0  0
    4.7579   -3.5907   -2.0859 H   0  0  0  0  0
    6.7498   -3.9764   -3.4633 H   0  0  0  0  0
    7.4266   -2.3241   -5.1864 H   0  0  0  0  0
    6.0656   -0.2791   -5.5350 H   0  0  0  0  0
    4.0516    0.1175   -4.1908 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  3  4  2  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
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  7 23  1  0  0  0
  7  8  2  0  0  0
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  9 10  1  0  0  0
  9 35  1  0  0  0
  9 36  1  0  0  0
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 11 12  2  0  0  0
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 13 14  2  0  0  0
 14 15  1  0  0  0
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 28 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL8949

>  <PubChem CID>
44265914

>  <Formula>
C26H21NO

>  <Molecular Weight>
363.460000

>  <IUPAC Name>
N-(3,3-diphenylprop-2-enyl)naphthalene-2-carboxamide

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1=CC=C(C=C1)C(=CCNC(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4

>  <Isomeric SMILES>
C1=CC=C(C=C1)C(=CCNC(=O)C2=CC3=CC=CC=C3C=C2)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H21NO/c28-26(24-16-15-20-9-7-8-14-23(20)19-24)27-18-17-25(21-10-3-1-4-11-21)22-12-5-2-6-13-22/h1-17,19H,18H2,(H,27,28)

>  <InChI Key>
ARRFUAAVWIBUKT-UHFFFAOYSA-N

