[3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-phenyl-1H-pyrazole-5-carboxylate

Systemtic Name: [3-(4-fluorophenyl)-4-oxidanylidene-quinazolin-2-yl]methyl 3-phenyl-1H-pyrazole-5-carboxylate Openeye Name: [3-(4-fluorophenyl)-4-oxo-quinazolin-2-yl]methyl 3-phenyl-1H-pyrazole-5-carboxylate CAS Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [3-(4-fluorophenyl)-4-oxo-2-quinazolinyl]methyl ester IUPAC Name: [3-(4-fluorophenyl)-4-oxoquinazolin-2-yl]methyl 3-phenyl-1H-pyrazole-5-carboxylate Traditional Name: 3-phenyl-1H-pyrazole-5-carboxylic acid [3-(4-fluorophenyl)-4-keto-quinazolin-2-yl]methyl ester Formula: C25H17FN4O3 MolecularWeight: 440.425883

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C(=O)OCC3=NC4=CC=CC=C4C(=O)N3C5=CC=C(C=C5)F

InChI

InChI=1S/C25H17FN4O3/c26-17-10-12-18(13-11-17)30-23(27-20-9-5-4-8-19(20)24(30)31)15-33-25(32)22-14-21(28-29-22)16-6-2-1-3-7-16/h1-14H,15H2,(H,28,29)