(4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-(6-methoxy-3-pyridazinyl)-5-(trifluoromethyl)-4-pyrazolecarboxylic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-(6-methoxypyridazin-3-yl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C19H13F3N6O4 MolecularWeight: 446.33953

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Descriptors Computed from Structure

Canonical SMILES:

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3)C(F)(F)F

Isomeric SMILES

COC1=NN=C(C=C1)N2C(=C(C=N2)C(=O)OCC3=NC(=O)C4=CC=CC=C4N3)C(F)(F)F

InChI

InChI=1S/C19H13F3N6O4/c1-31-15-7-6-14(26-27-15)28-16(19(20,21)22)11(8-23-28)18(30)32-9-13-24-12-5-3-2-4-10(12)17(29)25-13/h2-8H,9H2,1H3,(H,24,25,29)