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

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-1-phenyl-4-pyrazolecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C25H16ClFN4O3 MolecularWeight: 474.870943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C(=O)OCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC=C(C=C3)F)C(=O)OCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C25H16ClFN4O3/c26-16-8-11-19-21(12-16)28-22(29-24(19)32)14-34-25(33)20-13-31(18-4-2-1-3-5-18)30-23(20)15-6-9-17(27)10-7-15/h1-13H,14H2,(H,28,29,32)