5-(azepan-1-ylcarbonyl)-1-butan-2-yl-N-[2-(3-fluorophenyl)ethyl]-4-oxidanylidene-pyridine-3-carboxamide

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-butan-2-yl-N-[2-(3-fluorophenyl)ethyl]-4-oxidanylidene-pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-N-[2-(3-fluorophenyl)ethyl]-4-oxo-1-sec-butyl-pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-1-butan-2-yl-N-[2-(3-fluorophenyl)ethyl]-4-oxo-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-1-butan-2-yl-N-[2-(3-fluorophenyl)ethyl]-4-oxopyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-N-[2-(3-fluorophenyl)ethyl]-4-keto-1-sec-butyl-nicotinamide Formula: C25H32FN3O3 MolecularWeight: 441.538283

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCCC3=CC(=CC=C3)F

Isomeric SMILES

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCCC3=CC(=CC=C3)F

InChI

InChI=1S/C25H32FN3O3/c1-3-18(2)29-16-21(24(31)27-12-11-19-9-8-10-20(26)15-19)23(30)22(17-29)25(32)28-13-6-4-5-7-14-28/h8-10,15-18H,3-7,11-14H2,1-2H3,(H,27,31)