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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-5-phenyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-5-phenyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-5-phenyl-3-(2-phenylpropyl)-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-5-phenyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-5-phenyl-3-(2-phenylpropyl)pyrazole-4-carboxylic acid Formula: C25H20ClFN2O2 MolecularWeight: 434.889903

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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)C4=CC=CC=C4

Isomeric SMILES

CC(CC1=NN(C(=C1C(=O)O)C2=CC=CC=C2)C3=CC(=C(C=C3)F)Cl)C4=CC=CC=C4

InChI

InChI=1S/C25H20ClFN2O2/c1-16(17-8-4-2-5-9-17)14-22-23(25(30)31)24(18-10-6-3-7-11-18)29(28-22)19-12-13-21(27)20(26)15-19/h2-13,15-16H,14H2,1H3,(H,30,31)