N-butyl-2-(3-methylphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-piperidine-1-carboxamide

Systemtic Name: N-butyl-2-(3-methylphenyl)-5-[4-(phenylmethyl)piperazin-1-yl]carbonyl-piperidine-1-carboxamide Openeye Name: 5-(4-benzylpiperazine-1-carbonyl)-N-butyl-2-(m-tolyl)piperidine-1-carboxamide CAS Name: N-butyl-2-(3-methylphenyl)-5-[oxo-[4-(phenylmethyl)-1-piperazinyl]methyl]-1-piperidinecarboxamide IUPAC Name: 5-(4-benzylpiperazine-1-carbonyl)-N-butyl-2-(3-methylphenyl)piperidine-1-carboxamide Traditional Name: 5-(4-benzylpiperazine-1-carbonyl)-N-butyl-2-(m-tolyl)piperidine-1-carboxamide Formula: C29H40N4O2 MolecularWeight: 476.6535

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CC(CCC1C2=CC(=CC=C2)C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

Isomeric SMILES

CCCCNC(=O)N1CC(CCC1C2=CC(=CC=C2)C)C(=O)N3CCN(CC3)CC4=CC=CC=C4

InChI

InChI=1S/C29H40N4O2/c1-3-4-15-30-29(35)33-22-26(13-14-27(33)25-12-8-9-23(2)20-25)28(34)32-18-16-31(17-19-32)21-24-10-6-5-7-11-24/h5-12,20,26-27H,3-4,13-19,21-22H2,1-2H3,(H,30,35)