6-(5-tert-butyl-3-oxidanylidene-1H-1,2,4-triazol-2-yl)-7-fluoranyl-4-prop-2-ynyl-3H-1,4-benzoxazin-2-one

Systemtic Name: 6-(5-tert-butyl-3-oxidanylidene-1H-1,2,4-triazol-2-yl)-7-fluoranyl-4-prop-2-ynyl-3H-1,4-benzoxazin-2-one Openeye Name: 6-(5-tert-butyl-3-oxo-1H-1,2,4-triazol-2-yl)-7-fluoro-4-prop-2-ynyl-3H-1,4-benzoxazin-2-one CAS Name: 6-(5-tert-butyl-3-oxo-1H-1,2,4-triazol-2-yl)-7-fluoro-4-prop-2-ynyl-3H-1,4-benzoxazin-2-one IUPAC Name: 6-(5-tert-butyl-3-oxo-1H-1,2,4-triazol-2-yl)-7-fluoro-4-prop-2-ynyl-3H-1,4-benzoxazin-2-one Traditional Name: 6-(5-tert-butyl-3-keto-1H-1,2,4-triazol-2-yl)-7-fluoro-4-propargyl-3H-1,4-benzoxazin-2-one Formula: C17H17FN4O3 MolecularWeight: 344.340283

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=O)N(N1)C2=CC3=C(C=C2F)OC(=O)CN3CC#C

Isomeric SMILES

CC(C)(C)C1=NC(=O)N(N1)C2=CC3=C(C=C2F)OC(=O)CN3CC#C

InChI

InChI=1S/C17H17FN4O3/c1-5-6-21-9-14(23)25-13-7-10(18)11(8-12(13)21)22-16(24)19-15(20-22)17(2,3)4/h1,7-8H,6,9H2,2-4H3,(H,19,20,24)