1-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-methyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-methyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-5-methyl-3-(2-phenylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-methyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-methyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Formula: C20H18ClFN2O2 MolecularWeight: 372.820523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)C3=CC=CC=C3)C(=O)O

Isomeric SMILES

CC1=C(C(=NN1C2=CC(=C(C=C2)F)Cl)CC(C)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C20H18ClFN2O2/c1-12(14-6-4-3-5-7-14)10-18-19(20(25)26)13(2)24(23-18)15-8-9-17(22)16(21)11-15/h3-9,11-12H,10H2,1-2H3,(H,25,26)