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

Systemtic Name: 2-[[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-phthalazin-1-one Openeye Name: 2-[[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-phthalazin-1-one CAS Name: 2-[[4-(4-acetyl-2-fluorophenyl)-1-piperazin-1-iumyl]methyl]-4-phenyl-1-phthalazinone IUPAC Name: 2-[[4-(4-acetyl-2-fluorophenyl)piperazin-1-ium-1-yl]methyl]-4-phenylphthalazin-1-one Traditional Name: 2-[[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-ium-1-yl]methyl]-4-phenyl-phthalazin-1-one Formula: C27H26FN4O2+ MolecularWeight: 457.519343

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CC[NH+](CC2)CN3C(=O)C4=CC=CC=C4C(=N3)C5=CC=CC=C5)F

InChI

InChI=1S/C27H25FN4O2/c1-19(33)21-11-12-25(24(28)17-21)31-15-13-30(14-16-31)18-32-27(34)23-10-6-5-9-22(23)26(29-32)20-7-3-2-4-8-20/h2-12,17H,13-16,18H2,1H3/p+1