
 CHEMBL143029

 65 68  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL143029

>  <PubChem CID>
10576513

>  <Formula>
C29H31ClN2O2

>  <Molecular Weight>
475.029000

>  <IUPAC Name>
5-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-2-(2-phenylmethoxyphenyl)pentanenitrile

>  <XlogP>
5.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C#N)C3=CC=CC=C3OCC4=CC=CC=C4

>  <Isomeric SMILES>
C1CN(CCC1(C2=CC=C(C=C2)Cl)O)CCCC(C#N)C3=CC=CC=C3OCC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C29H31ClN2O2/c30-26-14-12-25(13-15-26)29(33)16-19-32(20-17-29)18-6-9-24(21-31)27-10-4-5-11-28(27)34-22-23-7-2-1-3-8-23/h1-5,7-8,10-15,24,33H,6,9,16-20,22H2

>  <InChI Key>
ADQMDQVZOSPWJP-UHFFFAOYSA-N

