
 CHEMBL340544

 55 58  0  0  0  0  0  0  0  0999 V2000
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    0.8838    2.1884   -1.0682 H   0  0  0  0  0
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M  END

>  <Chemical Name>
CHEMBL340544

>  <PubChem CID>
10408388

>  <Formula>
C26H25N3O

>  <Molecular Weight>
395.506000

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

>  <XlogP>
4.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1C(C#N)C2=CN=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCC1C(C#N)C2=CN=CC=C2)C(=O)C(C3=CC=CC=C3)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C26H25N3O/c27-18-24(23-12-7-15-28-19-23)20-13-16-29(17-14-20)26(30)25(21-8-3-1-4-9-21)22-10-5-2-6-11-22/h1-12,15,19-20,24-25H,13-14,16-17H2

>  <InChI Key>
DBKJBAQPDMQAHQ-UHFFFAOYSA-N

