5-(azepan-1-ylcarbonyl)-1-butan-2-yl-4-oxidanylidene-N-(3-pyridin-4-ylpropyl)pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-butan-2-yl-4-oxidanylidene-N-(3-pyridin-4-ylpropyl)pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-4-oxo-N-[3-(4-pyridyl)propyl]-1-sec-butyl-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-1-butan-2-yl-4-oxo-N-(3-pyridin-4-ylpropyl)-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-1-butan-2-yl-4-oxo-N-(3-pyridin-4-ylpropyl)pyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-4-keto-N-[3-(4-pyridyl)propyl]-1-sec-butyl-nicotinamide Formula: C25H34N4O3 MolecularWeight: 438.56246

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)NCCCC3=CC=NC=C3

Isomeric SMILES

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCCCC3=CC=NC=C3

InChI

InChI=1S/C25H34N4O3/c1-3-19(2)29-17-21(24(31)27-12-8-9-20-10-13-26-14-11-20)23(30)22(18-29)25(32)28-15-6-4-5-7-16-28/h10-11,13-14,17-19H,3-9,12,15-16H2,1-2H3,(H,27,31)