
 CHEMBL307271

 57 61  0  0  0  0  0  0  0  0999 V2000
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    1.0206   -0.3560    3.6133 C   0  0  0  0  0
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   -2.9363   -9.6382   -2.5539 C   0  0  0  0  0
   -3.5538   -8.4917   -2.0063 C   0  0  0  0  0
   -0.5966    0.0318    4.9889 H   0  0  0  0  0
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    3.0830    2.3545    3.3271 H   0  0  0  0  0
    4.0806    0.9298    1.5611 H   0  0  0  0  0
    3.1804   -1.3222    1.1312 H   0  0  0  0  0
    1.1856   -2.1441    0.3325 H   0  0  0  0  0
    0.3519   -5.2262    2.3151 H   0  0  0  0  0
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   -1.8615   -9.7652   -2.5779 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
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  1 36  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
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  3 37  1  0  0  0
  4  5  2  0  0  0
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  5  6  1  0  0  0
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  8  9  2  0  0  0
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 32 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL307271

>  <PubChem CID>
15307968

>  <Formula>
C29H24N2O2

>  <Molecular Weight>
432.523000

>  <IUPAC Name>
N-[4-(6,11-dihydrobenzo[c][1]benzazepine-5-carbonyl)phenyl]-2-methylbenzamide

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CC4=CC=CC=C4CC5=CC=CC=C53

>  <Isomeric SMILES>
CC1=CC=CC=C1C(=O)NC2=CC=C(C=C2)C(=O)N3CC4=CC=CC=C4CC5=CC=CC=C53

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

>  <InChI Key>
GBOLNTRTRBWONC-UHFFFAOYSA-N

