(3S)-N-(2-chloranyl-4,6-dimethyl-phenyl)-1-(4-chlorophenyl)carbonyl-piperidine-3-carboxamide

Systemtic Name: (3S)-N-(2-chloranyl-4,6-dimethyl-phenyl)-1-(4-chlorophenyl)carbonyl-piperidine-3-carboxamide Openeye Name: (3S)-1-(4-chlorobenzoyl)-N-(2-chloro-4,6-dimethyl-phenyl)piperidine-3-carboxamide CAS Name: (3S)-N-(2-chloro-4,6-dimethylphenyl)-1-[(4-chlorophenyl)-oxomethyl]-3-piperidinecarboxamide IUPAC Name: (3S)-1-(4-chlorobenzoyl)-N-(2-chloro-4,6-dimethylphenyl)piperidine-3-carboxamide Traditional Name: (3S)-1-(4-chlorobenzoyl)-N-(2-chloro-4,6-dimethyl-phenyl)nipecotamide Formula: C21H22Cl2N2O2 MolecularWeight: 405.31758

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)Cl)NC(=O)C2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=C(C(=C1)Cl)NC(=O)[C@H]2CCCN(C2)C(=O)C3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C21H22Cl2N2O2/c1-13-10-14(2)19(18(23)11-13)24-20(26)16-4-3-9-25(12-16)21(27)15-5-7-17(22)8-6-15/h5-8,10-11,16H,3-4,9,12H2,1-2H3,(H,24,26)/t16-/m0/s1