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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 5-chloranyl-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 5-chloro-3-methyl-1-(p-tolylmethyl)pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-[(4-methylphenyl)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-3-methyl-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate Traditional Name: 5-chloro-3-methyl-1-(4-methylbenzyl)pyrazole-4-carboxylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C22H18Cl2N4O3 MolecularWeight: 457.30932

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H18Cl2N4O3/c1-12-3-5-14(6-4-12)10-28-20(24)19(13(2)27-28)22(30)31-11-18-25-17-9-15(23)7-8-16(17)21(29)26-18/h3-9H,10-11H2,1-2H3,(H,25,26,29)