5-(azepan-1-ylcarbonyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-1-isobutyl-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-oxo-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-N-[2-(1-methyl-2-benzimidazolyl)ethyl]-1-(2-methylpropyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-N-[2-(1-methylbenzimidazol-2-yl)ethyl]-1-(2-methylpropyl)-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-1-isobutyl-4-keto-N-[2-(1-methylbenzimidazol-2-yl)ethyl]nicotinamide Formula: C27H35N5O3 MolecularWeight: 477.5985

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCCC3=NC4=CC=CC=C4N3C

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCCC3=NC4=CC=CC=C4N3C

InChI

InChI=1S/C27H35N5O3/c1-19(2)16-31-17-20(25(33)21(18-31)27(35)32-14-8-4-5-9-15-32)26(34)28-13-12-24-29-22-10-6-7-11-23(22)30(24)3/h6-7,10-11,17-19H,4-5,8-9,12-16H2,1-3H3,(H,28,34)