4-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C20H17F3N4O5S MolecularWeight: 482.43299

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CC=C(C=C4)OC(F)(F)F

InChI

InChI=1S/C20H17F3N4O5S/c21-20(22,23)32-13-5-7-14(8-6-13)33(30,31)27-11-9-26(10-12-27)19(29)17-15-3-1-2-4-16(15)18(28)25-24-17/h1-8H,9-12H2,(H,25,28)