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

Systemtic Name: 4-[(4-bromophenyl)carbonyl-butyl-amino]-1-ethanoyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: 1-acetyl-N-benzyl-4-[(4-bromobenzoyl)-butyl-amino]piperidine-4-carboxamide CAS Name: 1-acetyl-4-[[(4-bromophenyl)-oxomethyl]-butylamino]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-benzyl-4-[(4-bromobenzoyl)-butylamino]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-benzyl-4-[(4-bromobenzoyl)-butyl-amino]isonipecotamide Formula: C26H32BrN3O3 MolecularWeight: 514.45458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H32BrN3O3/c1-3-4-16-30(24(32)22-10-12-23(27)13-11-22)26(14-17-29(18-15-26)20(2)31)25(33)28-19-21-8-6-5-7-9-21/h5-13H,3-4,14-19H2,1-2H3,(H,28,33)