4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-2-(2-methylpropyl)phthalazin-1-one

Systemtic Name: 4-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-2-(2-methylpropyl)phthalazin-1-one Openeye Name: 4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-isobutyl-phthalazin-1-one CAS Name: 4-[[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-(2-methylpropyl)-1-phthalazinone IUPAC Name: 4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one Traditional Name: 4-[4-(4-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-isobutyl-phthalazin-1-one Formula: C23H25FN4O4S MolecularWeight: 472.532403

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CC(C)CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O4S/c1-16(2)15-28-22(29)20-6-4-3-5-19(20)21(25-28)23(30)26-11-13-27(14-12-26)33(31,32)18-9-7-17(24)8-10-18/h3-10,16H,11-15H2,1-2H3