3-[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid

Systemtic Name: 3-[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl]-4-oxidanylidene-phthalazine-1-carboxylic acid Openeye Name: 3-[2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl]-4-oxo-phthalazine-1-carboxylic acid CAS Name: 3-[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl]-4-oxo-1-phthalazinecarboxylic acid IUPAC Name: 3-[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl]-4-oxophthalazine-1-carboxylic acid Traditional Name: 3-[2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl]-4-keto-phthalazine-1-carboxylic acid Formula: C20H15FN4O4 MolecularWeight: 394.355903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)N(CCC#N)C3=CC=C(C=C3)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC(=O)N(CCC#N)C3=CC=C(C=C3)F)C(=O)O

InChI

InChI=1S/C20H15FN4O4/c21-13-6-8-14(9-7-13)24(11-3-10-22)17(26)12-25-19(27)16-5-2-1-4-15(16)18(23-25)20(28)29/h1-2,4-9H,3,11-12H2,(H,28,29)