7-fluoranyl-6-[7-methyl-4-oxidanylidene-5-(trifluoromethyl)pyrazolo[3,4-d][1,2,3]triazin-3-yl]-4-prop-2-ynyl-1,4-benzoxazin-3-one

Systemtic Name: 7-fluoranyl-6-[7-methyl-4-oxidanylidene-5-(trifluoromethyl)pyrazolo[3,4-d][1,2,3]triazin-3-yl]-4-prop-2-ynyl-1,4-benzoxazin-3-one Openeye Name: 7-fluoro-6-[7-methyl-4-oxo-5-(trifluoromethyl)pyrazolo[3,4-d]triazin-3-yl]-4-prop-2-ynyl-1,4-benzoxazin-3-one CAS Name: 7-fluoro-6-[7-methyl-4-oxo-5-(trifluoromethyl)-3-pyrazolo[3,4-d]triazinyl]-4-prop-2-ynyl-1,4-benzoxazin-3-one IUPAC Name: 7-fluoro-6-[7-methyl-4-oxo-5-(trifluoromethyl)pyrazolo[3,4-d]triazin-3-yl]-4-prop-2-ynyl-1,4-benzoxazin-3-one Traditional Name: 7-fluoro-6-[4-keto-7-methyl-5-(trifluoromethyl)pyrazolo[3,4-d]triazin-3-yl]-4-propargyl-1,4-benzoxazin-3-one Formula: C17H10F4N6O3 MolecularWeight: 422.293313

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=N1)C(F)(F)F)C(=O)N(N=N2)C3=CC4=C(C=C3F)OCC(=O)N4CC#C

Isomeric SMILES

CN1C2=C(C(=N1)C(F)(F)F)C(=O)N(N=N2)C3=CC4=C(C=C3F)OCC(=O)N4CC#C

InChI

InChI=1S/C17H10F4N6O3/c1-3-4-26-10-6-9(8(18)5-11(10)30-7-12(26)28)27-16(29)13-14(17(19,20)21)23-25(2)15(13)22-24-27/h1,5-6H,4,7H2,2H3