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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)N1CC(CC(C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC(=CC=C4)C

Isomeric SMILES

CCCCNC(=O)N1CC(CC(C1)C(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=CC(=CC=C4)C

InChI

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