3-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-2H-phthalazine-1,4-dione

Systemtic Name: 3-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-2H-phthalazine-1,4-dione Openeye Name: 3-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-2H-phthalazine-1,4-dione CAS Name: 3-[4-[[4-(2-fluorophenyl)-1-piperazinyl]sulfonyl]phenyl]-2H-phthalazine-1,4-dione IUPAC Name: 3-[4-[4-(2-fluorophenyl)piperazin-1-yl]sulfonylphenyl]-2H-phthalazine-1,4-dione Traditional Name: 3-[4-[4-(2-fluorophenyl)piperazino]sulfonylphenyl]-2H-phthalazine-1,4-quinone Formula: C24H21FN4O4S MolecularWeight: 480.511343

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C(=O)N4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)S(=O)(=O)C3=CC=C(C=C3)N4C(=O)C5=CC=CC=C5C(=O)N4

InChI

InChI=1S/C24H21FN4O4S/c25-21-7-3-4-8-22(21)27-13-15-28(16-14-27)34(32,33)18-11-9-17(10-12-18)29-24(31)20-6-2-1-5-19(20)23(30)26-29/h1-12H,13-16H2,(H,26,30)