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

Systemtic Name: (4-oxidanylidene-1H-quinazolin-2-yl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (4-oxo-1H-quinazolin-2-yl)methyl 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-3-methyl-1-(phenylmethyl)-4-pyrazolecarboxylic acid (4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (4-oxo-1H-quinazolin-2-yl)methyl 1-benzyl-5-chloro-3-methylpyrazole-4-carboxylate Traditional Name: 1-benzyl-5-chloro-3-methyl-pyrazole-4-carboxylic acid (4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H17ClN4O3 MolecularWeight: 408.83768

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OCC2=NC(=O)C3=CC=CC=C3N2)Cl)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=NC(=O)C3=CC=CC=C3N2)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H17ClN4O3/c1-13-18(19(22)26(25-13)11-14-7-3-2-4-8-14)21(28)29-12-17-23-16-10-6-5-9-15(16)20(27)24-17/h2-10H,11-12H2,1H3,(H,23,24,27)