4-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]carbonyl-2-phenyl-phthalazin-1-one

Systemtic Name: 4-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]carbonyl-2-phenyl-phthalazin-1-one Openeye Name: 4-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one CAS Name: 4-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-phenyl-1-phthalazinone IUPAC Name: 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-2-phenylphthalazin-1-one Traditional Name: 4-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]-2-phenyl-phthalazin-1-one Formula: C27H23FN4O3 MolecularWeight: 470.494923

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)C3=NN(C(=O)C4=CC=CC=C43)C5=CC=CC=C5)F

InChI

InChI=1S/C27H23FN4O3/c1-18(33)19-11-12-24(23(28)17-19)30-13-15-31(16-14-30)27(35)25-21-9-5-6-10-22(21)26(34)32(29-25)20-7-3-2-4-8-20/h2-12,17H,13-16H2,1H3