[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 2-(4-oxidanylidene-3H-phthalazin-1-yl)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate CAS Name: 2-(4-oxo-3H-phthalazin-1-yl)acetic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 2-(4-oxo-3H-phthalazin-1-yl)acetate Traditional Name: 2-(4-keto-3H-phthalazin-1-yl)acetic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C21H17FN4O4 MolecularWeight: 408.382483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H17FN4O4/c22-14-6-8-15(9-7-14)26(11-3-10-23)19(27)13-30-20(28)12-18-16-4-1-2-5-17(16)21(29)25-24-18/h1-2,4-9H,3,11-13H2,(H,25,29)