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

Systemtic Name: 5-(azepan-1-ylcarbonyl)-N-methyl-1-(2-methylpropyl)-4-oxidanylidene-N-phenethyl-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-1-isobutyl-N-methyl-4-oxo-N-phenethyl-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-N-methyl-1-(2-methylpropyl)-4-oxo-N-phenethyl-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-N-methyl-1-(2-methylpropyl)-4-oxo-N-phenethylpyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-1-isobutyl-4-keto-N-methyl-N-phenethyl-nicotinamide Formula: C26H35N3O3 MolecularWeight: 437.5744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N(C)CCC2=CC=CC=C2)C(=O)N3CCCCCC3

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N(C)CCC2=CC=CC=C2)C(=O)N3CCCCCC3

InChI

InChI=1S/C26H35N3O3/c1-20(2)17-28-18-22(25(31)27(3)16-13-21-11-7-6-8-12-21)24(30)23(19-28)26(32)29-14-9-4-5-10-15-29/h6-8,11-12,18-20H,4-5,9-10,13-17H2,1-3H3