Synthesis and Identification of Some New Heterocyclic Compounds Derived from N-(6-Hydrazinyl-6-oxohexanoyl)­phthalimide

New substituted heterocyclic compounds 2a–2c were synthesized from N-(6-hydrazinyl-6-oxo­hexanoyl)phthalimide, and their structure was confirmed by FT-IR, ¹H NMR, and ¹³C NMR spectra. In silico studies were performed to explore their chemical properties and predict biological activities. 2-[5-(1,3,4-Oxa­diazol-2-yl)pentanoyl]-1H-isoindole-1,3(2H)-dione (2a) and 2-(5-{4-[(2-hydroxy-4-nitrophenyl)diazenyl]-5-sulfanyl-4H-1,2,4-triazol-3-yl}pentanoyl)-1H-isoindole-1,3(2H)-dione (2b) showed good drug-like properties. Furthermore, molecular docking study showed that compounds 2a and 2b could be active as carbonic anhydrase I inhibitors.