(3S)-1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidine-3-carboxamide

Systemtic Name: (3S)-1-[2-[(3,5-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-N-phenyl-piperidine-3-carboxamide Openeye Name: (3S)-1-[2-(3,5-dimethylanilino)-2-oxo-ethyl]-N-phenyl-piperidine-3-carboxamide CAS Name: (3S)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-phenyl-3-piperidinecarboxamide IUPAC Name: (3S)-1-[2-(3,5-dimethylanilino)-2-oxoethyl]-N-phenylpiperidine-3-carboxamide Traditional Name: (3S)-1-[2-(3,5-dimethylanilino)-2-keto-ethyl]-N-phenyl-nipecotamide Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H27N3O2/c1-16-11-17(2)13-20(12-16)23-21(26)15-25-10-6-7-18(14-25)22(27)24-19-8-4-3-5-9-19/h3-5,8-9,11-13,18H,6-7,10,14-15H2,1-2H3,(H,23,26)(H,24,27)/t18-/m0/s1