ethyl 5-(4-cyclopropylphenyl)-1-(4-fluorophenyl)-4-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 5-(4-cyclopropylphenyl)-1-(4-fluorophenyl)-4-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 5-(4-cyclopropylphenyl)-1-(4-fluorophenyl)-4-methyl-pyrazole-3-carboxylate CAS Name: 5-(4-cyclopropylphenyl)-1-(4-fluorophenyl)-4-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-(4-cyclopropylphenyl)-1-(4-fluorophenyl)-4-methylpyrazole-3-carboxylate Traditional Name: 5-(4-cyclopropylphenyl)-1-(4-fluorophenyl)-4-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C22H21FN2O2 MolecularWeight: 364.412743

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1C)C2=CC=C(C=C2)C3CC3)C4=CC=C(C=C4)F

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1C)C2=CC=C(C=C2)C3CC3)C4=CC=C(C=C4)F

InChI

InChI=1S/C22H21FN2O2/c1-3-27-22(26)20-14(2)21(17-8-6-16(7-9-17)15-4-5-15)25(24-20)19-12-10-18(23)11-13-19/h6-13,15H,3-5H2,1-2H3