
 CHEMBL234100

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

>  <Chemical Name>
CHEMBL234100

>  <PubChem CID>
44430546

>  <Formula>
C27H32ClN3O2

>  <Molecular Weight>
466.022000

>  <IUPAC Name>
2-(2-chlorophenyl)-2-cyclohex-2-en-1-yl-N-[1-(3-pyridin-3-ylpropanoyl)piperidin-4-yl]acetamide

>  <XlogP>
4.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1CC=CC(C1)C(C2=CC=CC=C2Cl)C(=O)NC3CCN(CC3)C(=O)CCC4=CN=CC=C4

>  <Isomeric SMILES>
C1CC=CC(C1)C(C2=CC=CC=C2Cl)C(=O)NC3CCN(CC3)C(=O)CCC4=CN=CC=C4

>  <InChI Std. ID>
InChI=1S/C27H32ClN3O2/c28-24-11-5-4-10-23(24)26(21-8-2-1-3-9-21)27(33)30-22-14-17-31(18-15-22)25(32)13-12-20-7-6-16-29-19-20/h2,4-8,10-11,16,19,21-22,26H,1,3,9,12-15,17-18H2,(H,30,33)

>  <InChI Key>
AUYZLYFQFBCESA-UHFFFAOYSA-N

