
 CHEMBL137972

 75 78  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL137972

>  <PubChem CID>
21994329

>  <Formula>
C29H41N3O2

>  <Molecular Weight>
463.666000

>  <IUPAC Name>
2-(3,5-dimethylphenyl)-N-[2-(2-methoxyphenyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]acetamide

>  <XlogP>
4.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC(=CC(=C1)CC(=O)NCC(C2=CC=CC=C2OC)N3CCC(CC3)N4CCCCC4)C

>  <Isomeric SMILES>
CC1=CC(=CC(=C1)CC(=O)NCC(C2=CC=CC=C2OC)N3CCC(CC3)N4CCCCC4)C

>  <InChI Std. ID>
InChI=1S/C29H41N3O2/c1-22-17-23(2)19-24(18-22)20-29(33)30-21-27(26-9-5-6-10-28(26)34-3)32-15-11-25(12-16-32)31-13-7-4-8-14-31/h5-6,9-10,17-19,25,27H,4,7-8,11-16,20-21H2,1-3H3,(H,30,33)

>  <InChI Key>
AHBIGSLRJOQGEQ-UHFFFAOYSA-N

