[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 4-oxidanylidene-3H-phthalazine-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F

Isomeric SMILES

C1=CC=C2C(=C1)C(=NNC2=O)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F

InChI

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