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

Systemtic Name: 4-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]carbonyl-2-(phenylmethyl)phthalazin-1-one Openeye Name: 4-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]-2-benzyl-phthalazin-1-one CAS Name: 4-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-oxomethyl]-2-(phenylmethyl)-1-phthalazinone IUPAC Name: 4-[4-(4-acetyl-2-fluorophenyl)piperazine-1-carbonyl]-2-benzylphthalazin-1-one Traditional Name: 4-[4-(4-acetyl-2-fluoro-phenyl)piperazine-1-carbonyl]-2-benzyl-phthalazin-1-one Formula: C28H25FN4O3 MolecularWeight: 484.521503

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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)CC5=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)CC5=CC=CC=C5)F

InChI

InChI=1S/C28H25FN4O3/c1-19(34)21-11-12-25(24(29)17-21)31-13-15-32(16-14-31)28(36)26-22-9-5-6-10-23(22)27(35)33(30-26)18-20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3