
 CHEMBL132655

 58 61  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL132655

>  <PubChem CID>
10026451

>  <Formula>
C27H26ClN3O

>  <Molecular Weight>
443.975000

>  <IUPAC Name>
2-(3-chlorophenyl)-2-[4-(3,3-diphenylpropanoyl)piperazin-1-yl]acetonitrile

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCN1C(C#N)C2=CC(=CC=C2)Cl)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCN1C(C#N)C2=CC(=CC=C2)Cl)C(=O)CC(C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C27H26ClN3O/c28-24-13-7-12-23(18-24)26(20-29)30-14-16-31(17-15-30)27(32)19-25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-13,18,25-26H,14-17,19H2

>  <InChI Key>
FYZXXCWVPPJHHN-UHFFFAOYSA-N

