(7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate

Systemtic Name: (7-chloranyl-4-oxidanylidene-1H-quinazolin-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Openeye Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate CAS Name: 2-(4-fluorophenyl)-4-quinolinecarboxylic acid (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl ester IUPAC Name: (7-chloro-4-oxo-1H-quinazolin-2-yl)methyl 2-(4-fluorophenyl)quinoline-4-carboxylate Traditional Name: 2-(4-fluorophenyl)cinchoninic acid (7-chloro-4-keto-1H-quinazolin-2-yl)methyl ester Formula: C25H15ClFN3O3 MolecularWeight: 459.856303

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)OCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC(=N2)C3=CC=C(C=C3)F)C(=O)OCC4=NC(=O)C5=C(N4)C=C(C=C5)Cl

InChI

InChI=1S/C25H15ClFN3O3/c26-15-7-10-18-22(11-15)29-23(30-24(18)31)13-33-25(32)19-12-21(14-5-8-16(27)9-6-14)28-20-4-2-1-3-17(19)20/h1-12H,13H2,(H,29,30,31)