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

Systemtic Name: 4-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-2-propan-2-yl-phthalazin-1-one Openeye Name: 4-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-isopropyl-phthalazin-1-one CAS Name: 4-[[4-(2-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-propan-2-yl-1-phthalazinone IUPAC Name: 4-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-propan-2-ylphthalazin-1-one Traditional Name: 4-[4-(2-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-isopropyl-phthalazin-1-one Formula: C22H23FN4O4S MolecularWeight: 458.505823

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4F

InChI

InChI=1S/C22H23FN4O4S/c1-15(2)27-21(28)17-8-4-3-7-16(17)20(24-27)22(29)25-11-13-26(14-12-25)32(30,31)19-10-6-5-9-18(19)23/h3-10,15H,11-14H2,1-2H3