1-(3-chloranyl-4-fluoranyl-phenyl)-5-phenyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-phenyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-phenyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-5-phenyl-3-(2,4,4-trimethylpentyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-phenyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-phenyl-3-(2,4,4-trimethylpentyl)pyrazole-4-carboxylic acid Formula: C24H26ClFN2O2 MolecularWeight: 428.926843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26ClFN2O2/c1-15(14-24(2,3)4)12-20-21(23(29)30)22(16-8-6-5-7-9-16)28(27-20)17-10-11-19(26)18(25)13-17/h5-11,13,15H,12,14H2,1-4H3,(H,29,30)