
 CHEMBL71397

 67 70  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL71397

>  <PubChem CID>
18964186

>  <Formula>
C29H32Cl2N2O2

>  <Molecular Weight>
511.487000

>  <IUPAC Name>
N-[2-(3,4-dichlorophenyl)-4-(4-hydroxy-4-phenylpiperidin-1-yl)butyl]-N-methylbenzamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(CC(CCN1CCC(CC1)(C2=CC=CC=C2)O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC=CC=C4

>  <Isomeric SMILES>
CN(CC(CCN1CCC(CC1)(C2=CC=CC=C2)O)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C29H32Cl2N2O2/c1-32(28(34)22-8-4-2-5-9-22)21-24(23-12-13-26(30)27(31)20-23)14-17-33-18-15-29(35,16-19-33)25-10-6-3-7-11-25/h2-13,20,24,35H,14-19,21H2,1H3

>  <InChI Key>
KBIKENJDJYPBNS-UHFFFAOYSA-N

