[2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[2-cyanoethyl-(2-fluorophenyl)amino]-2-oxidanylidene-ethyl] 5-methyl-1-pyridin-2-yl-pyrazole-4-carboxylate Openeye Name: [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-oxo-ethyl] 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylate CAS Name: 5-methyl-1-(2-pyridinyl)-4-pyrazolecarboxylic acid [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-2-fluoroanilino]-2-oxoethyl] 5-methyl-1-pyridin-2-ylpyrazole-4-carboxylate Traditional Name: 5-methyl-1-(2-pyridyl)pyrazole-4-carboxylic acid [2-[N-(2-cyanoethyl)-2-fluoro-anilino]-2-keto-ethyl] ester Formula: C21H18FN5O3 MolecularWeight: 407.397723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F

Isomeric SMILES

CC1=C(C=NN1C2=CC=CC=N2)C(=O)OCC(=O)N(CCC#N)C3=CC=CC=C3F

InChI

InChI=1S/C21H18FN5O3/c1-15-16(13-25-27(15)19-9-4-5-11-24-19)21(29)30-14-20(28)26(12-6-10-23)18-8-3-2-7-17(18)22/h2-5,7-9,11,13H,6,12,14H2,1H3