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

Systemtic Name: 4-[(4-bromophenyl)carbonyl-cyclopropyl-amino]-1-ethanoyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: 1-acetyl-N-benzyl-4-[(4-bromobenzoyl)-cyclopropyl-amino]piperidine-4-carboxamide CAS Name: 1-acetyl-4-[[(4-bromophenyl)-oxomethyl]-cyclopropylamino]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-benzyl-4-[(4-bromobenzoyl)-cyclopropylamino]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-benzyl-4-[(4-bromobenzoyl)-cyclopropyl-amino]isonipecotamide Formula: C25H28BrN3O3 MolecularWeight: 498.41212

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)(C(=O)NCC2=CC=CC=C2)N(C3CC3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(=O)N1CCC(CC1)(C(=O)NCC2=CC=CC=C2)N(C3CC3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C25H28BrN3O3/c1-18(30)28-15-13-25(14-16-28,24(32)27-17-19-5-3-2-4-6-19)29(22-11-12-22)23(31)20-7-9-21(26)10-8-20/h2-10,22H,11-17H2,1H3,(H,27,32)