[2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2,5-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] 1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxylate Openeye Name: [2-(2,5-dimethoxyanilino)-2-oxo-ethyl] 1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxylate CAS Name: 1-(2-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxylic acid [2-(2,5-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyanilino)-2-oxoethyl] 1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate Traditional Name: 1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxylic acid [2-(2,5-dimethoxyanilino)-2-keto-ethyl] ester Formula: C24H21FN4O5 MolecularWeight: 464.445743

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=C3F)N4C=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)NC(=O)COC(=O)C2=C(N(N=C2)C3=CC=CC=C3F)N4C=CC=C4

InChI

InChI=1S/C24H21FN4O5/c1-32-16-9-10-21(33-2)19(13-16)27-22(30)15-34-24(31)17-14-26-29(20-8-4-3-7-18(20)25)23(17)28-11-5-6-12-28/h3-14H,15H2,1-2H3,(H,27,30)