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

Systemtic Name: 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[4-(2-fluorophenyl)piperazin-1-yl]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[4-(2-fluorophenyl)piperazino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C21H19FN4O4 MolecularWeight: 410.398363

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2F)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2F)C(=O)CN3C(=O)C4=CC=CC=C4C(=N3)C(=O)O

InChI

InChI=1S/C21H19FN4O4/c22-16-7-3-4-8-17(16)24-9-11-25(12-10-24)18(27)13-26-20(28)15-6-2-1-5-14(15)19(23-26)21(29)30/h1-8H,9-13H2,(H,29,30)