4-[(4-bromophenyl)carbonyl-(furan-2-ylmethyl)amino]-1-ethanoyl-N-(phenylmethyl)piperidine-4-carboxamide

Systemtic Name: 4-[(4-bromophenyl)carbonyl-(furan-2-ylmethyl)amino]-1-ethanoyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: 1-acetyl-N-benzyl-4-[(4-bromobenzoyl)-(2-furylmethyl)amino]piperidine-4-carboxamide CAS Name: 1-acetyl-4-[[(4-bromophenyl)-oxomethyl]-(2-furanylmethyl)amino]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-benzyl-4-[(4-bromobenzoyl)-(furan-2-ylmethyl)amino]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-benzyl-4-[(4-bromobenzoyl)-(2-furfuryl)amino]isonipecotamide Formula: C27H28BrN3O4 MolecularWeight: 538.43292

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)(C(=O)NCC2=CC=CC=C2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(=O)N1CCC(CC1)(C(=O)NCC2=CC=CC=C2)N(CC3=CC=CO3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C27H28BrN3O4/c1-20(32)30-15-13-27(14-16-30,26(34)29-18-21-6-3-2-4-7-21)31(19-24-8-5-17-35-24)25(33)22-9-11-23(28)12-10-22/h2-12,17H,13-16,18-19H2,1H3,(H,29,34)