5-(azepan-1-ylcarbonyl)-N-[(3-chlorophenyl)methyl]-1-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-N-[(3-chlorophenyl)methyl]-1-(2-methylpropyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-[(3-chlorophenyl)methyl]-1-isobutyl-4-oxo-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-N-[(3-chlorophenyl)methyl]-1-(2-methylpropyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-N-[(3-chlorophenyl)methyl]-1-(2-methylpropyl)-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-N-(3-chlorobenzyl)-1-isobutyl-4-keto-nicotinamide Formula: C24H30ClN3O3 MolecularWeight: 443.9663

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C24H30ClN3O3/c1-17(2)14-27-15-20(23(30)26-13-18-8-7-9-19(25)12-18)22(29)21(16-27)24(31)28-10-5-3-4-6-11-28/h7-9,12,15-17H,3-6,10-11,13-14H2,1-2H3,(H,26,30)