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

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-isopentyl-1-[(2-methoxyphenyl)methyl]-4-oxo-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-1-[(2-methoxyphenyl)methyl]-N-(3-methylbutyl)-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-N-isoamyl-4-keto-1-o-anisyl-nicotinamide Formula: C26H35N3O4 MolecularWeight: 453.5738

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCCCCC2)CC3=CC=CC=C3OC

Isomeric SMILES

CC(C)CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCCCCC2)CC3=CC=CC=C3OC

InChI

InChI=1S/C26H35N3O4/c1-19(2)12-13-27-25(31)21-17-28(16-20-10-6-7-11-23(20)33-3)18-22(24(21)30)26(32)29-14-8-4-5-9-15-29/h6-7,10-11,17-19H,4-5,8-9,12-16H2,1-3H3,(H,27,31)