5-(azepan-1-ylcarbonyl)-N-ethyl-4-oxidanylidene-1-phenethyl-pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-N-ethyl-4-oxidanylidene-1-phenethyl-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-ethyl-4-oxo-1-phenethyl-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-N-ethyl-4-oxo-1-phenethyl-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-N-ethyl-4-oxo-1-phenethylpyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-N-ethyl-4-keto-1-phenethyl-nicotinamide Formula: C23H29N3O3 MolecularWeight: 395.49466

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCCCCC2)CCC3=CC=CC=C3

Isomeric SMILES

CCNC(=O)C1=CN(C=C(C1=O)C(=O)N2CCCCCC2)CCC3=CC=CC=C3

InChI

InChI=1S/C23H29N3O3/c1-2-24-22(28)19-16-25(15-12-18-10-6-5-7-11-18)17-20(21(19)27)23(29)26-13-8-3-4-9-14-26/h5-7,10-11,16-17H,2-4,8-9,12-15H2,1H3,(H,24,28)