6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid

Systemtic Name: 6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Openeye Name: 6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid CAS Name: 6-[oxo-[2-(1-pyrazolyl)-5-(trifluoromethyl)anilino]methyl]-1-cyclohex-3-enecarboxylic acid IUPAC Name: 6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Traditional Name: 6-[[2-pyrazol-1-yl-5-(trifluoromethyl)phenyl]carbamoyl]cyclohex-3-ene-1-carboxylic acid Formula: C18H16F3N3O3 MolecularWeight: 379.33315

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CCC(C1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=CC=N3)C(=O)O

Isomeric SMILES

C1C=CCC(C1C(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3C=CC=N3)C(=O)O

InChI

InChI=1S/C18H16F3N3O3/c19-18(20,21)11-6-7-15(24-9-3-8-22-24)14(10-11)23-16(25)12-4-1-2-5-13(12)17(26)27/h1-3,6-10,12-13H,4-5H2,(H,23,25)(H,26,27)