
 CHEMBL3904295

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

>  <Chemical Name>
CHEMBL3904295

>  <PubChem CID>
122504790

>  <Formula>
C27H35N3O2

>  <Molecular Weight>
433.596000

>  <IUPAC Name>
1-[1-(3-benzamidophenyl)ethyl]-N-cyclohexylpiperidine-4-carboxamide

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)N3CCC(CC3)C(=O)NC4CCCCC4

>  <Isomeric SMILES>
CC(C1=CC(=CC=C1)NC(=O)C2=CC=CC=C2)N3CCC(CC3)C(=O)NC4CCCCC4

>  <InChI Std. ID>
InChI=1S/C27H35N3O2/c1-20(23-11-8-14-25(19-23)29-26(31)21-9-4-2-5-10-21)30-17-15-22(16-18-30)27(32)28-24-12-6-3-7-13-24/h2,4-5,8-11,14,19-20,22,24H,3,6-7,12-13,15-18H2,1H3,(H,28,32)(H,29,31)

>  <InChI Key>
CBSDCXGDCKHMIJ-UHFFFAOYSA-N

