7-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]azepan-2-one

Systemtic Name: 7-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]azepan-2-one Openeye Name: 7-[[3-(trifluoromethyl)isoxazol-5-yl]methyl]azepan-2-one CAS Name: 7-[[3-(trifluoromethyl)-5-isoxazolyl]methyl]-2-azepanone IUPAC Name: 7-[[3-(trifluoromethyl)-1,2-oxazol-5-yl]methyl]azepan-2-one Traditional Name: 7-[[3-(trifluoromethyl)isoxazol-5-yl]methyl]azepan-2-one Formula: C11H13F3N2O2 MolecularWeight: 262.22833

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)NC(C1)CC2=CC(=NO2)C(F)(F)F

Isomeric SMILES

C1CCC(=O)NC(C1)CC2=CC(=NO2)C(F)(F)F

InChI

InChI=1S/C11H13F3N2O2/c12-11(13,14)9-6-8(18-16-9)5-7-3-1-2-4-10(17)15-7/h6-7H,1-5H2,(H,15,17)