2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one

Systemtic Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one Openeye Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(p-tolyl)phthalazin-1-one CAS Name: 2-[[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]methyl]-4-(4-methylphenyl)-1-phthalazinone IUPAC Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-4-(4-methylphenyl)phthalazin-1-one Traditional Name: 2-[[4-(3-fluorophenyl)sulfonylpiperazino]methyl]-4-(p-tolyl)phthalazin-1-one Formula: C26H25FN4O3S MolecularWeight: 492.565103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C(=O)C3=CC=CC=C32)CN4CCN(CC4)S(=O)(=O)C5=CC=CC(=C5)F

InChI

InChI=1S/C26H25FN4O3S/c1-19-9-11-20(12-10-19)25-23-7-2-3-8-24(23)26(32)31(28-25)18-29-13-15-30(16-14-29)35(33,34)22-6-4-5-21(27)17-22/h2-12,17H,13-16,18H2,1H3