
 CHEMBL308741

 57 61  0  0  0  0  0  0  0  0999 V2000
    4.4400   -0.3668   -3.2849 C   0  0  0  0  0
    3.3752    0.6903   -3.1694 C   0  0  0  0  0
    3.6873    2.0032   -3.5648 C   0  0  0  0  0
    2.7471    3.0277   -3.4648 C   0  0  0  0  0
    1.4846    2.7639   -2.9439 C   0  0  0  0  0
    1.1593    1.4700   -2.5332 C   0  0  0  0  0
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    1.6923   -0.9671   -2.2398 C   0  0  0  0  0
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    0.3792   -1.3101   -2.5293 N   0  0  0  0  0
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    0.4134   -3.7081   -1.8977 C   0  0  0  0  0
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   -1.6388   -2.6075   -2.5144 C   0  0  0  0  0
   -2.3868   -6.2444   -1.6535 C   0  0  0  0  0
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   -4.3942   -7.5412   -1.1935 C   0  0  0  0  0
   -5.8885   -7.5706   -0.8641 C   0  0  0  0  0
   -6.6392   -6.5792   -1.7164 C   0  0  0  0  0
   -7.5090   -7.0279   -2.7227 C   0  0  0  0  0
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   -5.1176   -3.1946    1.4224 C   0  0  0  0  0
   -3.8388   -3.7117    1.5851 C   0  0  0  0  0
   -3.3877   -4.7258    0.7429 C   0  0  0  0  0
   -4.2104   -5.2352   -0.2777 C   0  0  0  0  0
    5.3059    0.0001   -3.8492 H   0  0  0  0  0
    4.0628   -1.2445   -3.8163 H   0  0  0  0  0
    4.7980   -0.6542   -2.2904 H   0  0  0  0  0
    4.6768    2.2364   -3.9561 H   0  0  0  0  0
    3.0070    4.0350   -3.7800 H   0  0  0  0  0
    0.7597    3.5672   -2.8457 H   0  0  0  0  0
    0.1820    1.3060   -2.0854 H   0  0  0  0  0
   -0.1977   -0.6062   -2.9683 H   0  0  0  0  0
    1.4885   -3.7230   -1.7557 H   0  0  0  0  0
    0.2501   -5.7989   -1.4108 H   0  0  0  0  0
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   -4.2476   -7.9519   -2.2019 H   0  0  0  0  0
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   -6.2713   -8.5850   -1.0270 H   0  0  0  0  0
   -6.0656   -7.3553    0.1972 H   0  0  0  0  0
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   -8.8274   -6.4664   -4.3309 H   0  0  0  0  0
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   -3.1908   -3.3306    2.3708 H   0  0  0  0  0
   -2.3915   -5.1310    0.9060 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 37  1  0  0  0
  4  5  2  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 39  1  0  0  0
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  6 40  1  0  0  0
  7  8  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
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 11 12  2  0  0  0
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 32 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL308741

>  <PubChem CID>
44212554

>  <Formula>
C29H24N2O2

>  <Molecular Weight>
432.523000

>  <IUPAC Name>
N-[4-(6,7-dihydrobenzo[d][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide

>  <XlogP>
5.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C5=CC=CC=C53

>  <Isomeric SMILES>
CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CCC4=CC=CC=C4C5=CC=CC=C53

>  <InChI Std. ID>
InChI=1S/C29H24N2O2/c1-20-8-2-4-10-24(20)28(32)30-23-16-14-22(15-17-23)29(33)31-19-18-21-9-3-5-11-25(21)26-12-6-7-13-27(26)31/h2-17H,18-19H2,1H3,(H,30,32)

>  <InChI Key>
DPARHLVHKXHJKH-UHFFFAOYSA-N

