[2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(4-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-methylpyrazine-2-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-oxo-ethyl] 5-methylpyrazine-2-carboxylate CAS Name: 5-methyl-2-pyrazinecarboxylic acid [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 5-methylpyrazine-2-carboxylate Traditional Name: 5-methylpyrazinic acid [2-[N-(2-cyanoethyl)-4-fluoro-anilino]-2-keto-ethyl] ester Formula: C17H15FN4O3 MolecularWeight: 342.324403

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(N=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F

Isomeric SMILES

CC1=NC=C(N=C1)C(=O)OCC(=O)N(CCC#N)C2=CC=C(C=C2)F

InChI

InChI=1S/C17H15FN4O3/c1-12-9-21-15(10-20-12)17(24)25-11-16(23)22(8-2-7-19)14-5-3-13(18)4-6-14/h3-6,9-10H,2,8,11H2,1H3