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P21

Summary
Name:4-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide
Formula:C24 H31 Cl N2 O2
Formal charge:0
Formula weight:414.968 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs10.044-chloro-N-(3-methoxypropyl)-N-[(3S)-1-(2-phenylethyl)piperidin-3-yl]benzamide
OpenEye OEToolkits1.5.04-chloro-N-(3-methoxypropyl)-N-[(1S,3S)-1-phenethylpiperidin-3-yl]benzamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1ccc(cc1)C(=O)N(C3CCCN(CCc2ccccc2)C3)CCCOC
SMILES_CANONICALCACTVS3.341COCCCN([C@H]1CCCN(CCc2ccccc2)C1)C(=O)c3ccc(Cl)cc3
SMILESCACTVS3.341COCCCN([CH]1CCCN(CCc2ccccc2)C1)C(=O)c3ccc(Cl)cc3
SMILES_CANONICALOpenEye OEToolkits1.5.0COCCCN([C@H]1CCC[N@](C1)CCc2ccccc2)C(=O)c3ccc(cc3)Cl
SMILESOpenEye OEToolkits1.5.0COCCCN(C1CCCN(C1)CCc2ccccc2)C(=O)c3ccc(cc3)Cl
InChIInChI1.03InChI=1S/C24H31ClN2O2/c1-29-18-6-16-27(24(28)21-10-12-22(25)13-11-21)23-9-5-15-26(19-23)17-14-20-7-3-2-4-8-20/h2-4,7-8,10-13,23H,5-6,9,14-19H2,1H3/t23-/m0/s1
InChIKeyInChI1.03OOUGHDJEJNMXSV-QHCPKHFHSA-N

248335

PDB entries from 2026-01-28

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