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

Systemtic Name: (4-acetamidophenyl) 1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxylate Openeye Name: (4-acetamidophenyl) 1-(4-fluorophenyl)-5-pyrrol-1-yl-pyrazole-4-carboxylate CAS Name: 1-(4-fluorophenyl)-5-(1-pyrrolyl)-4-pyrazolecarboxylic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxylate Traditional Name: 1-(4-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=C(C=C3)F)N4C=CC=C4

Isomeric SMILES

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

InChI

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