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31A

Summary
Name:N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide
Formula:C21 H25 N3 O3
Formal charge:0
Formula weight:367.442 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(1E)-2-(3-methoxyphenyl)ethanimidoyl]-2-(piperidin-4-yloxy)benzamide
OpenEye OEToolkits1.9.2N-[2-(3-methoxyphenyl)ethanimidoyl]-2-piperidin-4-yloxy-benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C(c2c(OC1CCNCC1)cccc2)NC(=[N@H])Cc3cccc(OC)c3
InChIInChI1.03InChI=1S/C21H25N3O3/c1-26-17-6-4-5-15(13-17)14-20(22)24-21(25)18-7-2-3-8-19(18)27-16-9-11-23-12-10-16/h2-8,13,16,23H,9-12,14H2,1H3,(H2,22,24,25)
InChIKeyInChI1.03WTWXRFGIIFJWMN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(CC(=N)NC(=O)c2ccccc2OC3CCNCC3)c1
SMILESCACTVS3.385COc1cccc(CC(=N)NC(=O)c2ccccc2OC3CCNCC3)c1
SMILES_CANONICALOpenEye OEToolkits1.9.2[H]/N=C(\Cc1cccc(c1)OC)/NC(=O)c2ccccc2OC3CCNCC3
SMILESOpenEye OEToolkits1.9.2COc1cccc(c1)CC(=N)NC(=O)c2ccccc2OC3CCNCC3

224931

PDB entries from 2024-09-11

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