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

Systemtic Name: 4-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[4-(3-fluorophenyl)sulfonylpiperazine-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C25H21FN4O4S MolecularWeight: 492.522043

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC(=C5)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=NN(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)S(=O)(=O)C5=CC=CC(=C5)F

InChI

InChI=1S/C25H21FN4O4S/c26-18-7-6-10-20(17-18)35(33,34)29-15-13-28(14-16-29)25(32)23-21-11-4-5-12-22(21)24(31)30(27-23)19-8-2-1-3-9-19/h1-12,17H,13-16H2