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

Systemtic Name: 5-(azepan-1-ylcarbonyl)-1-butan-2-yl-4-oxidanylidene-N-[[3-(trifluoromethyloxy)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 5-(azepane-1-carbonyl)-4-oxo-1-sec-butyl-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide CAS Name: 5-[1-azepanyl(oxo)methyl]-1-butan-2-yl-4-oxo-N-[[3-(trifluoromethoxy)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 5-(azepane-1-carbonyl)-1-butan-2-yl-4-oxo-N-[[3-(trifluoromethoxy)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 5-(azepane-1-carbonyl)-4-keto-1-sec-butyl-N-[3-(trifluoromethoxy)benzyl]nicotinamide Formula: C25H30F3N3O4 MolecularWeight: 493.51861

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC(=CC=C3)OC(F)(F)F

Isomeric SMILES

CCC(C)N1C=C(C(=O)C(=C1)C(=O)N2CCCCCC2)C(=O)NCC3=CC(=CC=C3)OC(F)(F)F

InChI

InChI=1S/C25H30F3N3O4/c1-3-17(2)31-15-20(22(32)21(16-31)24(34)30-11-6-4-5-7-12-30)23(33)29-14-18-9-8-10-19(13-18)35-25(26,27)28/h8-10,13,15-17H,3-7,11-12,14H2,1-2H3,(H,29,33)