(3S)-1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[2-[(4-methylphenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[2-(4-methylanilino)-2-oxo-ethyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[2-(4-methylanilino)-2-oxoethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[2-(4-methylanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[2-keto-2-(p-toluidino)ethyl]-N-phenyl-nipecotamide Formula: C21H25N3O2 MolecularWeight: 351.4421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC(=O)CN2CCCC(C2)C(=O)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)NC(=O)CN2CCC[C@@H](C2)C(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H25N3O2/c1-16-9-11-19(12-10-16)22-20(25)15-24-13-5-6-17(14-24)21(26)23-18-7-3-2-4-8-18/h2-4,7-12,17H,5-6,13-15H2,1H3,(H,22,25)(H,23,26)/t17-/m0/s1