5-(azepan-1-ylcarbonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[(2S)-butan-2-yl]-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[(2S)-butan-2-yl]-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[(1S)-1-methylpropyl]-4-oxo-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[(2S)-butan-2-yl]-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-1-[(2S)-butan-2-yl]-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-N-[2-(1H-benzimidazol-2-yl)ethyl]-4-keto-1-[(1S)-1-methylpropyl]nicotinamide Formula: C26H33N5O3 MolecularWeight: 463.57192

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCCC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC[C@H](C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCCC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C26H33N5O3/c1-3-18(2)31-16-19(24(32)20(17-31)26(34)30-14-8-4-5-9-15-30)25(33)27-13-12-23-28-21-10-6-7-11-22(21)29-23/h6-7,10-11,16-18H,3-5,8-9,12-15H2,1-2H3,(H,27,33)(H,28,29)/t18-/m0/s1