
 CHEMBL140270

 67 71  0  0  0  0  0  0  0  0999 V2000
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  1  6  1  0  0  0
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  2  3  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL140270

>  <PubChem CID>
10813846

>  <Formula>
C32H32N2O

>  <Molecular Weight>
460.621000

>  <IUPAC Name>
5-(4-hydroxy-4-naphthalen-2-ylpiperidin-1-yl)-2,2-diphenylpentanenitrile

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CN(CCC1(C2=CC3=CC=CC=C3C=C2)O)CCCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CN(CCC1(C2=CC3=CC=CC=C3C=C2)O)CCCC(C#N)(C4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C32H32N2O/c33-25-31(28-12-3-1-4-13-28,29-14-5-2-6-15-29)18-9-21-34-22-19-32(35,20-23-34)30-17-16-26-10-7-8-11-27(26)24-30/h1-8,10-17,24,35H,9,18-23H2

>  <InChI Key>
CTEBIEGHNJYKDL-UHFFFAOYSA-N

