4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-2H-phthalazin-1-one

Systemtic Name: 4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]carbonyl-2H-phthalazin-1-one Openeye Name: 4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one CAS Name: 4-[oxo-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]methyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one Traditional Name: 4-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazine-1-carbonyl]-2H-phthalazin-1-one Formula: C20H17F3N4O4S MolecularWeight: 466.43359

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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=CC(=C4)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H17F3N4O4S/c21-20(22,23)13-4-3-5-14(12-13)32(30,31)27-10-8-26(9-11-27)19(29)17-15-6-1-2-7-16(15)18(28)25-24-17/h1-7,12H,8-11H2,(H,25,28)