1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-4-yl]azepan-2-one

Systemtic Name: 1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-4-yl]azepan-2-one Openeye Name: 1-methyl-3-[3-(trifluoromethyl)isoxazol-4-yl]azepan-2-one CAS Name: 1-methyl-3-[3-(trifluoromethyl)-4-isoxazolyl]-2-azepanone IUPAC Name: 1-methyl-3-[3-(trifluoromethyl)-1,2-oxazol-4-yl]azepan-2-one Traditional Name: 1-methyl-3-[3-(trifluoromethyl)isoxazol-4-yl]azepan-2-one Formula: C11H13F3N2O2 MolecularWeight: 262.22833

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCCC(C1=O)C2=CON=C2C(F)(F)F

Isomeric SMILES

CN1CCCCC(C1=O)C2=CON=C2C(F)(F)F

InChI

InChI=1S/C11H13F3N2O2/c1-16-5-3-2-4-7(10(16)17)8-6-18-15-9(8)11(12,13)14/h6-7H,2-5H2,1H3