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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 5-chloranyl-3-methyl-1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (7-chloro-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 (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-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 (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C21H16Cl2N4O3 MolecularWeight: 443.28274

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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)CC4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)Cl)CC4=CC=CC=C4

InChI

InChI=1S/C21H16Cl2N4O3/c1-12-18(19(23)27(26-12)10-13-5-3-2-4-6-13)21(29)30-11-17-24-16-9-14(22)7-8-15(16)20(28)25-17/h2-9H,10-11H2,1H3,(H,24,25,28)