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744

Summary
Name:(3S)-N-(5-CHLORO-2-METHYLPHENYL)-1-CYCLOHEXYL-5-OXOPYRROLIDINE-3-CARBOXAMIDE
Formula:C18 H23 Cl N2 O2
Formal charge:0
Formula weight:334.84 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3S)-N-(5-chloro-2-methylphenyl)-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
OpenEye OEToolkits1.5.0(3S)-N-(5-chloro-2-methyl-phenyl)-1-cyclohexyl-5-oxo-pyrrolidine-3-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04Clc1cc(c(cc1)C)NC(=O)C3CC(=O)N(C2CCCCC2)C3
SMILES_CANONICALCACTVS3.341Cc1ccc(Cl)cc1NC(=O)[C@@H]2CN(C3CCCCC3)C(=O)C2
SMILESCACTVS3.341Cc1ccc(Cl)cc1NC(=O)[CH]2CN(C3CCCCC3)C(=O)C2
SMILES_CANONICALOpenEye OEToolkits1.5.0Cc1ccc(cc1NC(=O)[C@H]2CC(=O)N(C2)C3CCCCC3)Cl
SMILESOpenEye OEToolkits1.5.0Cc1ccc(cc1NC(=O)C2CC(=O)N(C2)C3CCCCC3)Cl
InChIInChI1.03InChI=1S/C18H23ClN2O2/c1-12-7-8-14(19)10-16(12)20-18(23)13-9-17(22)21(11-13)15-5-3-2-4-6-15/h7-8,10,13,15H,2-6,9,11H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyInChI1.03RJWMDETWDDESBP-ZDUSSCGKSA-N

219140

PDB entries from 2024-05-01

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