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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(4-methylphenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylate CAS Name: 3-(4-methylphenyl)-1-phenyl-4-pyrazolecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-(4-methylphenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 1-phenyl-3-(p-tolyl)pyrazole-4-carboxylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C26H19ClN4O3 MolecularWeight: 470.90706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C26H19ClN4O3/c1-16-7-9-17(10-8-16)24-21(14-31(30-24)19-5-3-2-4-6-19)26(33)34-15-23-28-22-13-18(27)11-12-20(22)25(32)29-23/h2-14H,15H2,1H3,(H,28,29,32)