(4-acetamidophenyl) 5-chloranyl-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate

Systemtic Name: (4-acetamidophenyl) 5-chloranyl-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate Openeye Name: (4-acetamidophenyl) 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-pyrazole-4-carboxylate CAS Name: 5-chloro-1-[(4-fluorophenyl)methyl]-3-methyl-4-pyrazolecarboxylic acid (4-acetamidophenyl) ester IUPAC Name: (4-acetamidophenyl) 5-chloro-1-[(4-fluorophenyl)methyl]-3-methylpyrazole-4-carboxylate Traditional Name: 5-chloro-1-(4-fluorobenzyl)-3-methyl-pyrazole-4-carboxylic acid (4-acetamidophenyl) ester Formula: C20H17ClFN3O3 MolecularWeight: 401.818683

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C(=O)OC2=CC=C(C=C2)NC(=O)C)Cl)CC3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=C1C(=O)OC2=CC=C(C=C2)NC(=O)C)Cl)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H17ClFN3O3/c1-12-18(19(21)25(24-12)11-14-3-5-15(22)6-4-14)20(27)28-17-9-7-16(8-10-17)23-13(2)26/h3-10H,11H2,1-2H3,(H,23,26)