3-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C23H21FN4O5 MolecularWeight: 452.435043

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O)F

InChI

InChI=1S/C23H21FN4O5/c1-14(29)15-6-7-19(18(24)12-15)26-8-10-27(11-9-26)20(30)13-28-22(31)17-5-3-2-4-16(17)21(25-28)23(32)33/h2-7,12H,8-11,13H2,1H3,(H,32,33)