
 CHEMBL492871

 68 71  0  0  0  0  0  0  0  0999 V2000
    0.0483    1.2724    0.6023 C   0  0  0  0  0
   -1.3986    0.7265    0.6357 C   0  0  0  0  0
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    6.6804   -4.0294    5.9065 H   0  0  0  0  0
    5.3696   -1.6159    4.7582 H   0  0  0  0  0
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    8.2129   -1.7623    7.1754 H   0  0  0  0  0
    8.2500   -0.4974    9.2957 H   0  0  0  0  0
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  1  6  1  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  2  3  1  0  0  0
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  2 37  1  0  0  0
  3  4  1  0  0  0
  3 22  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL492871

>  <PubChem CID>
25107518

>  <Formula>
C29H35N3O

>  <Molecular Weight>
441.619000

>  <IUPAC Name>
N-benzyl-6-[4-(2-phenylphenyl)piperazin-1-yl]hexanamide

>  <XlogP>
5.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1CCCCCC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCN1CCCCCC(=O)NCC2=CC=CC=C2)C3=CC=CC=C3C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C29H35N3O/c33-29(30-24-25-12-4-1-5-13-25)18-8-3-11-19-31-20-22-32(23-21-31)28-17-10-9-16-27(28)26-14-6-2-7-15-26/h1-2,4-7,9-10,12-17H,3,8,11,18-24H2,(H,30,33)

>  <InChI Key>
LQFAQQWXFSOOQJ-UHFFFAOYSA-N

