4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-2-(2-methylpropyl)phthalazin-1-one

Systemtic Name: 4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-2-(2-methylpropyl)phthalazin-1-one Openeye Name: 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-isobutyl-phthalazin-1-one CAS Name: 4-[[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-(2-methylpropyl)-1-phthalazinone IUPAC Name: 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-(2-methylpropyl)phthalazin-1-one Traditional Name: 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-isobutyl-phthalazin-1-one Formula: C23H25FN4O4S MolecularWeight: 472.532403

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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