(4-acetamidophenyl) 1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxylate

Systemtic Name: (4-acetamidophenyl) 1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxylate Openeye Name: (4-acetamidophenyl) 1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxylate CAS Name: 1-(2-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxylic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate Traditional Name: 1-(2-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxylic acid (4-acetamidophenyl) ester Formula: C22H17FN4O3 MolecularWeight: 404.393783

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=C(N(N=C2)C3=CC=CC=C3F)N4C=CC=C4

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)OC(=O)C2=C(N(N=C2)C3=CC=CC=C3F)N4C=CC=C4

InChI

InChI=1S/C22H17FN4O3/c1-15(28)25-16-8-10-17(11-9-16)30-22(29)18-14-24-27(20-7-3-2-6-19(20)23)21(18)26-12-4-5-13-26/h2-14H,1H3,(H,25,28)