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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H25FN4O4S/c1-2-3-12-28-22(29)20-7-5-4-6-19(20)21(25-28)23(30)26-13-15-27(16-14-26)33(31,32)18-10-8-17(24)9-11-18/h4-11H,2-3,12-16H2,1H3