1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2,6-dimethyl-6-oxidanyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-(2,6-dimethyl-6-oxidanyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid CAS Name: 1-(3-chloro-4-fluorophenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-phenyl-4-pyrazolecarboxylic acid IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-(6-hydroxy-2,6-dimethylheptyl)-5-phenylpyrazole-4-carboxylic acid Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-(6-hydroxy-2,6-dimethyl-heptyl)-5-phenyl-pyrazole-4-carboxylic acid Formula: C25H28ClFN2O3 MolecularWeight: 458.952823

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28ClFN2O3/c1-16(8-7-13-25(2,3)32)14-21-22(24(30)31)23(17-9-5-4-6-10-17)29(28-21)18-11-12-20(27)19(26)15-18/h4-6,9-12,15-16,32H,7-8,13-14H2,1-3H3,(H,30,31)