(3S)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide

Systemtic Name: (3S)-3-[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl-N-phenyl-piperidine-1-carboxamide Openeye Name: (3S)-3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-phenyl-piperidine-1-carboxamide CAS Name: (3S)-3-[[4-(2,3-dimethylphenyl)-1-piperazinyl]-oxomethyl]-N-phenyl-1-piperidinecarboxamide IUPAC Name: (3S)-3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-phenylpiperidine-1-carboxamide Traditional Name: (3S)-3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]-N-phenyl-piperidine-1-carboxamide Formula: C25H32N4O2 MolecularWeight: 420.54718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3CCCN(C3)C(=O)NC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)[C@H]3CCCN(C3)C(=O)NC4=CC=CC=C4)C

InChI

InChI=1S/C25H32N4O2/c1-19-8-6-12-23(20(19)2)27-14-16-28(17-15-27)24(30)21-9-7-13-29(18-21)25(31)26-22-10-4-3-5-11-22/h3-6,8,10-12,21H,7,9,13-18H2,1-2H3,(H,26,31)/t21-/m0/s1