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O5I

Summary
Name:2-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide
Formula:C20 H27 Cl2 N3 O2
Formal charge:0
Formula weight:412.353 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits3.1.0.02-chloranyl-~{N}-[[1-[1-[(4-chlorophenyl)amino]cyclopentyl]carbonylpiperidin-4-yl]methyl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.06InChI=1S/C20H27Cl2N3O2/c21-13-18(26)23-14-15-7-11-25(12-8-15)19(27)20(9-1-2-10-20)24-17-5-3-16(22)4-6-17/h3-6,15,24H,1-2,7-14H2,(H,23,26)
InChIKeyInChI1.06NJCJNBJGRFJESB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Nc3ccc(Cl)cc3
SMILESCACTVS3.385ClCC(=O)NCC1CCN(CC1)C(=O)C2(CCCC2)Nc3ccc(Cl)cc3
SMILES_CANONICALOpenEye OEToolkits3.1.0.0c1cc(ccc1NC2(CCCC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl
SMILESOpenEye OEToolkits3.1.0.0c1cc(ccc1NC2(CCCC2)C(=O)N3CCC(CC3)CNC(=O)CCl)Cl

223532

PDB entries from 2024-08-07

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