ethyl 1-(4-chloranyl-2-fluoranyl-phenyl)-5-(4-cyclopropylphenyl)-4-methyl-pyrazole-3-carboxylate

Systemtic Name: ethyl 1-(4-chloranyl-2-fluoranyl-phenyl)-5-(4-cyclopropylphenyl)-4-methyl-pyrazole-3-carboxylate Openeye Name: ethyl 1-(4-chloro-2-fluoro-phenyl)-5-(4-cyclopropylphenyl)-4-methyl-pyrazole-3-carboxylate CAS Name: 1-(4-chloro-2-fluorophenyl)-5-(4-cyclopropylphenyl)-4-methyl-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-chloro-2-fluorophenyl)-5-(4-cyclopropylphenyl)-4-methylpyrazole-3-carboxylate Traditional Name: 1-(4-chloro-2-fluoro-phenyl)-5-(4-cyclopropylphenyl)-4-methyl-pyrazole-3-carboxylic acid ethyl ester Formula: C22H20ClFN2O2 MolecularWeight: 398.857803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20ClFN2O2/c1-3-28-22(27)20-13(2)21(16-8-6-15(7-9-16)14-4-5-14)26(25-20)19-11-10-17(23)12-18(19)24/h6-12,14H,3-5H2,1-2H3