6-[5-methyl-6-oxidanylidene-4-(trifluoromethyl)pyridazin-1-yl]-4-prop-2-ynyl-1,4-benzoxazin-3-one

Systemtic Name: 6-[5-methyl-6-oxidanylidene-4-(trifluoromethyl)pyridazin-1-yl]-4-prop-2-ynyl-1,4-benzoxazin-3-one Openeye Name: 6-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-4-prop-2-ynyl-1,4-benzoxazin-3-one CAS Name: 6-[5-methyl-6-oxo-4-(trifluoromethyl)-1-pyridazinyl]-4-prop-2-ynyl-1,4-benzoxazin-3-one IUPAC Name: 6-[5-methyl-6-oxo-4-(trifluoromethyl)pyridazin-1-yl]-4-prop-2-ynyl-1,4-benzoxazin-3-one Traditional Name: 6-[6-keto-5-methyl-4-(trifluoromethyl)pyridazin-1-yl]-4-propargyl-1,4-benzoxazin-3-one Formula: C17H12F3N3O3 MolecularWeight: 363.29069

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN(C1=O)C2=CC3=C(C=C2)OCC(=O)N3CC#C)C(F)(F)F

Isomeric SMILES

CC1=C(C=NN(C1=O)C2=CC3=C(C=C2)OCC(=O)N3CC#C)C(F)(F)F

InChI

InChI=1S/C17H12F3N3O3/c1-3-6-22-13-7-11(4-5-14(13)26-9-15(22)24)23-16(25)10(2)12(8-21-23)17(18,19)20/h1,4-5,7-8H,6,9H2,2H3