4-[(4-bromophenyl)carbonyl-(3-methylbutyl)amino]-1-ethanoyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 4-[(4-bromophenyl)carbonyl-(3-methylbutyl)amino]-1-ethanoyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: 1-acetyl-N-benzyl-4-[(4-bromobenzoyl)-isopentyl-amino]piperidine-4-carboxamide CAS Name: 1-acetyl-4-[[(4-bromophenyl)-oxomethyl]-(3-methylbutyl)amino]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-benzyl-4-[(4-bromobenzoyl)-(3-methylbutyl)amino]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-benzyl-4-[(4-bromobenzoyl)-isoamyl-amino]isonipecotamide Formula: C27H34BrN3O3 MolecularWeight: 528.48116

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H34BrN3O3/c1-20(2)13-16-31(25(33)23-9-11-24(28)12-10-23)27(14-17-30(18-15-27)21(3)32)26(34)29-19-22-7-5-4-6-8-22/h4-12,20H,13-19H2,1-3H3,(H,29,34)