2-[[4-[3,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one

Systemtic Name: 2-[[4-[3,4-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[[4-(3,4-difluorophenyl)sulfonyl-1-piperazinyl]methyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[[4-(3,4-difluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-phenylphthalazin-1-one Traditional Name: 2-[[4-(3,4-difluorophenyl)sulfonylpiperazino]methyl]-4-phenyl-phthalazin-1-one Formula: C25H22F2N4O3S MolecularWeight: 496.528986

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4)S(=O)(=O)C5=CC(=C(C=C5)F)F

Isomeric SMILES

C1CN(CCN1CN2C(=O)C3=CC=CC=C3C(=N2)C4=CC=CC=C4)S(=O)(=O)C5=CC(=C(C=C5)F)F

InChI

InChI=1S/C25H22F2N4O3S/c26-22-11-10-19(16-23(22)27)35(33,34)30-14-12-29(13-15-30)17-31-25(32)21-9-5-4-8-20(21)24(28-31)18-6-2-1-3-7-18/h1-11,16H,12-15,17H2