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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylate CAS Name: 5-cyclopropyl-2-phenyl-3-pyrazolecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 5-cyclopropyl-2-phenylpyrazole-3-carboxylate Traditional Name: 5-cyclopropyl-2-phenyl-pyrazole-3-carboxylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C22H17ClN4O3 MolecularWeight: 420.84838

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN(C(=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=NN(C(=C2)C(=O)OCC3=NC(=O)C4=C(N3)C=C(C=C4)Cl)C5=CC=CC=C5

InChI

InChI=1S/C22H17ClN4O3/c23-14-8-9-16-18(10-14)24-20(25-21(16)28)12-30-22(29)19-11-17(13-6-7-13)26-27(19)15-4-2-1-3-5-15/h1-5,8-11,13H,6-7,12H2,(H,24,25,28)