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7Y6

Summary
Name:4-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
Formula:C21 H24 Cl N3 O3
Formal charge:0
Formula weight:401.887 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-chloro-N-[(1E)-2-(3-methoxyphenyl)ethanimidoyl]-2-(piperidin-4-yloxy)benzamide
OpenEye OEToolkits1.9.24-chloranyl-N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc3cc(OC1CCNCC1)c(C(=O)NC(=[N@H])Cc2cccc(OC)c2)cc3
InChIInChI1.03InChI=1S/C21H24ClN3O3/c1-27-17-4-2-3-14(11-17)12-20(23)25-21(26)18-6-5-15(22)13-19(18)28-16-7-9-24-10-8-16/h2-6,11,13,16,24H,7-10,12H2,1H3,(H2,23,25,26)
InChIKeyInChI1.03LWKDHLRBDHZTMF-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(CC(=N)NC(=O)c2ccc(Cl)cc2OC3CCNCC3)c1
SMILESCACTVS3.385COc1cccc(CC(=N)NC(=O)c2ccc(Cl)cc2OC3CCNCC3)c1
SMILES_CANONICALOpenEye OEToolkits1.9.2[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2ccc(cc2OC3CCNCC3)Cl
SMILESOpenEye OEToolkits1.9.2COc1cccc(c1)CC(=N)NC(=O)c2ccc(cc2OC3CCNCC3)Cl

224931

PDB entries from 2024-09-11

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