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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 1-(phenylmethyl)pyrazole-4-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 1-benzylpyrazole-4-carboxylate CAS Name: 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-benzylpyrazole-4-carboxylate Traditional Name: 1-benzylpyrazole-4-carboxylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C20H15ClN4O3 MolecularWeight: 394.8111

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H15ClN4O3/c21-15-6-7-16-17(8-15)23-18(24-19(16)26)12-28-20(27)14-9-22-25(11-14)10-13-4-2-1-3-5-13/h1-9,11H,10,12H2,(H,23,24,26)