(3S)-N-(3-chloranyl-2-methyl-phenyl)-3-[(3,4-dimethoxyphenyl)amino]piperidine-1-carboxamide

Systemtic Name: (3S)-N-(3-chloranyl-2-methyl-phenyl)-3-[(3,4-dimethoxyphenyl)amino]piperidine-1-carboxamide Openeye Name: (3S)-N-(3-chloro-2-methyl-phenyl)-3-(3,4-dimethoxyanilino)piperidine-1-carboxamide CAS Name: (3S)-N-(3-chloro-2-methylphenyl)-3-(3,4-dimethoxyanilino)-1-piperidinecarboxamide IUPAC Name: (3S)-N-(3-chloro-2-methylphenyl)-3-(3,4-dimethoxyanilino)piperidine-1-carboxamide Traditional Name: (3S)-N-(3-chloro-2-methyl-phenyl)-3-(3,4-dimethoxyanilino)piperidine-1-carboxamide Formula: C21H26ClN3O3 MolecularWeight: 403.90244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)N2CCCC(C2)NC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)N2CCC[C@@H](C2)NC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C21H26ClN3O3/c1-14-17(22)7-4-8-18(14)24-21(26)25-11-5-6-16(13-25)23-15-9-10-19(27-2)20(12-15)28-3/h4,7-10,12,16,23H,5-6,11,13H2,1-3H3,(H,24,26)/t16-/m0/s1