(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 5-chloranyl-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-4-pyrazolecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 5-chloro-1-(4-fluorophenyl)-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorophenyl)-3-methyl-pyrazole-4-carboxylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C20H13Cl2FN4O3 MolecularWeight: 447.246623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)Cl)C4=CC=C(C=C4)F

InChI

InChI=1S/C20H13Cl2FN4O3/c1-10-17(18(22)27(26-10)13-5-3-12(23)4-6-13)20(29)30-9-16-24-15-8-11(21)2-7-14(15)19(28)25-16/h2-8H,9H2,1H3,(H,24,25,28)