[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate

Systemtic Name: [3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl 5-chloranyl-1,3-dimethyl-pyrazole-4-carboxylate Openeye Name: [3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]methyl 5-chloro-1,3-dimethyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1,3-dimethyl-4-pyrazolecarboxylic acid [3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl 5-chloro-1,3-dimethylpyrazole-4-carboxylate Traditional Name: 5-chloro-1,3-dimethyl-pyrazole-4-carboxylic acid [3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C21H16ClFN4O3 MolecularWeight: 426.828143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)Cl)C

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)F)Cl)C

InChI

InChI=1S/C21H16ClFN4O3/c1-12-18(19(22)26(2)25-12)21(29)30-11-17-24-16-6-4-3-5-15(16)20(28)27(17)14-9-7-13(23)8-10-14/h3-10H,11H2,1-2H3