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A novel binary compounds as 3-(1,3-diphenyl-1 H -pyrazol-4-yl)-2-phenyl-2 H -benzo[f]indazole-4,9-dione ( 10 ) and fused compounds as 2-hydroxy-3-(4-hydroxy-7-methoxy-2-oxo-1,2-dihydroquinolin-3-yl)naphthalene-1,4-dione ( 7 ) and naphtho[2,3- b ]furan-3,4,9(2 H )-trione ( 6 ) based on lawsone ‘that plays as important precursor’ was synthesized by reaction with 1,3-diphenyl-1 H -pyrazole-4-carbaldehyde and halo-compounds, such as 2-chloroacetyl chloride or 3-bromo-4-hydroxy-7-methoxyquinolin-2(1 H )-one. Spectra and elemental analysis of newly synthesized compounds were investigated. The target molecules were showed easy access to antioxidant (calorimetrical measurement) and antitumor (Ehrlich ascites carcinoma [EAC] cells) activities. Geometrical isomers (enol, Keto conformers, and syn, anti-conformers) were achieved by density functional theory (DFT) that conformed to the spectral analysis of the investigated compounds. Supplemental data for this article is available online at here.

Synthesis, DFT Studies, and Biological Applications of Some Novel Compounds Containing Lawsone by Using Halo-Reagents