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

Systemtic Name: 4-[2-oxidanylidene-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]-2H-phthalazin-1-one Openeye Name: 4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]-2H-phthalazin-1-one CAS Name: 4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]ethyl]-2H-phthalazin-1-one IUPAC Name: 4-[2-oxo-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]ethyl]-2H-phthalazin-1-one Traditional Name: 4-[2-keto-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazino]ethyl]-2H-phthalazin-1-one Formula: C21H19F3N4O4S MolecularWeight: 480.46017

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)CC2=NNC(=O)C3=CC=CC=C32)S(=O)(=O)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H19F3N4O4S/c22-21(23,24)14-4-3-5-15(12-14)33(31,32)28-10-8-27(9-11-28)19(29)13-18-16-6-1-2-7-17(16)20(30)26-25-18/h1-7,12H,8-11,13H2,(H,26,30)