4-[butyl-(4-methylphenyl)carbonyl-amino]-1-ethanoyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 4-[butyl-(4-methylphenyl)carbonyl-amino]-1-ethanoyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: 1-acetyl-N-benzyl-4-[butyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide CAS Name: 1-acetyl-4-[butyl-[(4-methylphenyl)-oxomethyl]amino]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-benzyl-4-[butyl-(4-methylbenzoyl)amino]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-benzyl-4-[butyl(p-toluoyl)amino]isonipecotamide Formula: C27H35N3O3 MolecularWeight: 449.5851

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(=O)C1=CC=C(C=C1)C)C2(CCN(CC2)C(=O)C)C(=O)NCC3=CC=CC=C3

Isomeric SMILES

CCCCN(C(=O)C1=CC=C(C=C1)C)C2(CCN(CC2)C(=O)C)C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C27H35N3O3/c1-4-5-17-30(25(32)24-13-11-21(2)12-14-24)27(15-18-29(19-16-27)22(3)31)26(33)28-20-23-9-7-6-8-10-23/h6-14H,4-5,15-20H2,1-3H3,(H,28,33)