
 CHEMBL132824

 57 60  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
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  1 33  1  0  0  0
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  2 35  1  0  0  0
  3  4  1  0  0  0
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 31 57  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL132824

>  <PubChem CID>
10409305

>  <Formula>
C26H26N4O

>  <Molecular Weight>
410.521000

>  <IUPAC Name>
3-[4-(2,2-diphenylacetyl)piperazin-1-yl]-2-pyridin-3-ylpropanenitrile

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCN1CC(C#N)C2=CN=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCN1CC(C#N)C2=CN=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H26N4O/c27-18-24(23-12-7-13-28-19-23)20-29-14-16-30(17-15-29)26(31)25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,19,24-25H,14-17,20H2

>  <InChI Key>
CGVOBRGBNOENDQ-UHFFFAOYSA-N

