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

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-(2-methylpropyl)-4-oxidanylidene-N-[phenyl(pyridin-4-yl)methyl]pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-1-isobutyl-4-oxo-N-[phenyl(4-pyridyl)methyl]pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-1-(2-methylpropyl)-4-oxo-N-[phenyl(pyridin-4-yl)methyl]-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-1-(2-methylpropyl)-4-oxo-N-[phenyl(pyridin-4-yl)methyl]pyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-1-isobutyl-4-keto-N-[phenyl(4-pyridyl)methyl]nicotinamide Formula: C29H34N4O3 MolecularWeight: 486.60526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NC(C3=CC=CC=C3)C4=CC=NC=C4

Isomeric SMILES

CC(C)CN1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NC(C3=CC=CC=C3)C4=CC=NC=C4

InChI

InChI=1S/C29H34N4O3/c1-21(2)18-32-19-24(27(34)25(20-32)29(36)33-16-8-3-4-9-17-33)28(35)31-26(22-10-6-5-7-11-22)23-12-14-30-15-13-23/h5-7,10-15,19-21,26H,3-4,8-9,16-18H2,1-2H3,(H,31,35)