1-(3,5-diphenylpyrazol-1-yl)carbonyl-6-(4-fluorophenyl)-4-methyl-cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 1-(3,5-diphenylpyrazol-1-yl)carbonyl-6-(4-fluorophenyl)-4-methyl-cyclohex-3-ene-1-carboxylic acid Openeye Name: 1-(3,5-diphenylpyrazole-1-carbonyl)-6-(4-fluorophenyl)-4-methyl-cyclohex-3-ene-1-carboxylic acid CAS Name: 1-[(3,5-diphenyl-1-pyrazolyl)-oxomethyl]-6-(4-fluorophenyl)-4-methyl-1-cyclohex-3-enecarboxylic acid IUPAC Name: 1-(3,5-diphenylpyrazole-1-carbonyl)-6-(4-fluorophenyl)-4-methylcyclohex-3-ene-1-carboxylic acid Traditional Name: 1-(3,5-diphenylpyrazole-1-carbonyl)-6-(4-fluorophenyl)-4-methyl-cyclohex-3-ene-1-carboxylic acid Formula: C30H25FN2O3 MolecularWeight: 480.529503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(C(C1)C2=CC=C(C=C2)F)(C(=O)N3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

CC1=CCC(C(C1)C2=CC=C(C=C2)F)(C(=O)N3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C30H25FN2O3/c1-20-16-17-30(29(35)36,25(18-20)21-12-14-24(31)15-13-21)28(34)33-27(23-10-6-3-7-11-23)19-26(32-33)22-8-4-2-5-9-22/h2-16,19,25H,17-18H2,1H3,(H,35,36)