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

Systemtic Name: 4-[(4-bromophenyl)carbonyl-(pyridin-3-ylmethyl)amino]-1-ethanoyl-N-(phenylmethyl)piperidine-4-carboxamide Openeye Name: 1-acetyl-N-benzyl-4-[(4-bromobenzoyl)-(3-pyridylmethyl)amino]piperidine-4-carboxamide CAS Name: 1-acetyl-4-[[(4-bromophenyl)-oxomethyl]-(3-pyridinylmethyl)amino]-N-(phenylmethyl)-4-piperidinecarboxamide IUPAC Name: 1-acetyl-N-benzyl-4-[(4-bromobenzoyl)-(pyridin-3-ylmethyl)amino]piperidine-4-carboxamide Traditional Name: 1-acetyl-N-benzyl-4-[(4-bromobenzoyl)-(3-pyridylmethyl)amino]isonipecotamide Formula: C28H29BrN4O3 MolecularWeight: 549.45886

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)(C(=O)NCC2=CC=CC=C2)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)Br

Isomeric SMILES

CC(=O)N1CCC(CC1)(C(=O)NCC2=CC=CC=C2)N(CC3=CN=CC=C3)C(=O)C4=CC=C(C=C4)Br

InChI

InChI=1S/C28H29BrN4O3/c1-21(34)32-16-13-28(14-17-32,27(36)31-19-22-6-3-2-4-7-22)33(20-23-8-5-15-30-18-23)26(35)24-9-11-25(29)12-10-24/h2-12,15,18H,13-14,16-17,19-20H2,1H3,(H,31,36)