
 CHEMBL197978

 51 53  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL197978

>  <PubChem CID>
10496963

>  <Formula>
C22H26N2O

>  <Molecular Weight>
334.463000

>  <IUPAC Name>
5-(4-hydroxypiperidin-1-yl)-2,2-diphenylpentanenitrile

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1O)CCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3

>  <Isomeric SMILES>
C1CN(CCC1O)CCCC(C#N)(C2=CC=CC=C2)C3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C22H26N2O/c23-18-22(19-8-3-1-4-9-19,20-10-5-2-6-11-20)14-7-15-24-16-12-21(25)13-17-24/h1-6,8-11,21,25H,7,12-17H2

>  <InChI Key>
HWKKKOJCVGWIOS-UHFFFAOYSA-N

