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

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-[(2S)-butan-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-[2-(4-methoxyphenyl)ethyl]-1-[(1S)-1-methylpropyl]-4-oxo-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-1-[(2S)-butan-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-1-[(2S)-butan-2-yl]-N-[2-(4-methoxyphenyl)ethyl]-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-4-keto-N-[2-(4-methoxyphenyl)ethyl]-1-[(1S)-1-methylpropyl]nicotinamide Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCCC3=CC=C(C=C3)OC

Isomeric SMILES

CC[C@H](C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCCC3=CC=C(C=C3)OC

InChI

InChI=1S/C26H35N3O4/c1-4-19(2)29-17-22(25(31)27-14-13-20-9-11-21(33-3)12-10-20)24(30)23(18-29)26(32)28-15-7-5-6-8-16-28/h9-12,17-19H,4-8,13-16H2,1-3H3,(H,27,31)/t19-/m0/s1