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

Systemtic Name: 5-(azepan-1-ylcarbonyl)-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-4-oxo-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-N-[2-(1-cyclohexenyl)ethyl]-1-[(2-methoxyphenyl)methyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-N-[2-(cyclohexen-1-yl)ethyl]-1-[(2-methoxyphenyl)methyl]-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-N-[2-(cyclohexen-1-yl)ethyl]-4-keto-1-o-anisyl-nicotinamide Formula: C29H37N3O4 MolecularWeight: 491.62178

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CN2C=C(C(=O)C(=C2)C(=O)N3CCCCCC3)C(=O)NCCC4=CCCCC4

Isomeric SMILES

COC1=CC=CC=C1CN2C=C(C(=O)C(=C2)C(=O)N3CCCCCC3)C(=O)NCCC4=CCCCC4

InChI

InChI=1S/C29H37N3O4/c1-36-26-14-8-7-13-23(26)19-31-20-24(28(34)30-16-15-22-11-5-4-6-12-22)27(33)25(21-31)29(35)32-17-9-2-3-10-18-32/h7-8,11,13-14,20-21H,2-6,9-10,12,15-19H2,1H3,(H,30,34)