4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]-2-(trifluoromethyl)benzoic acid

Systemtic Name: 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]-2-(trifluoromethyl)benzoic acid Openeye Name: 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]-2-(trifluoromethyl)benzoic acid CAS Name: 4-[4-[(2-adamantylamino)-oxomethyl]-5-tert-butyl-1-pyrazolyl]-2-(trifluoromethyl)benzoic acid IUPAC Name: 4-[4-(2-adamantylcarbamoyl)-5-tert-butylpyrazol-1-yl]-2-(trifluoromethyl)benzoic acid Traditional Name: 4-[4-(2-adamantylcarbamoyl)-5-tert-butyl-pyrazol-1-yl]-2-(trifluoromethyl)benzoic acid Formula: C26H30F3N3O3 MolecularWeight: 489.52991

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=NN1C2=CC(=C(C=C2)C(=O)O)C(F)(F)F)C(=O)NC3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC(C)(C)C1=C(C=NN1C2=CC(=C(C=C2)C(=O)O)C(F)(F)F)C(=O)NC3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C26H30F3N3O3/c1-25(2,3)22-19(23(33)31-21-15-7-13-6-14(9-15)10-16(21)8-13)12-30-32(22)17-4-5-18(24(34)35)20(11-17)26(27,28)29/h4-5,11-16,21H,6-10H2,1-3H3,(H,31,33)(H,34,35)