5-(azepan-1-ylcarbonyl)-1-butan-2-yl-N-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-butan-2-yl-N-[(3,4-dimethoxyphenyl)methyl]-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-1-sec-butyl-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-1-butan-2-yl-N-[(3,4-dimethoxyphenyl)methyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-1-butan-2-yl-N-[(3,4-dimethoxyphenyl)methyl]-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-4-keto-1-sec-butyl-N-veratryl-nicotinamide Formula: C26H35N3O5 MolecularWeight: 469.5732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC(=C(C=C3)OC)OC

Isomeric SMILES

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC(=C(C=C3)OC)OC

InChI

InChI=1S/C26H35N3O5/c1-5-18(2)29-16-20(24(30)21(17-29)26(32)28-12-8-6-7-9-13-28)25(31)27-15-19-10-11-22(33-3)23(14-19)34-4/h10-11,14,16-18H,5-9,12-13,15H2,1-4H3,(H,27,31)