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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)Cl)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC(C)C2=NC(=O)C3=CC=CC=C3N2)Cl)C4=CC=CC=C4

InChI

InChI=1S/C21H17ClN4O3/c1-12-17(18(22)26(25-12)14-8-4-3-5-9-14)21(28)29-13(2)19-23-16-11-7-6-10-15(16)20(27)24-19/h3-11,13H,1-2H3,(H,23,24,27)