3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-[4-(trifluoromethyl)cyclohexen-1-yl]pyrazole-4-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-[4-(trifluoromethyl)cyclohexen-1-yl]pyrazole-4-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-[4-(trifluoromethyl)cyclohexen-1-yl]pyrazole-4-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-1-[4-(trifluoromethyl)-1-cyclohexenyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-1-[4-(trifluoromethyl)cyclohexen-1-yl]pyrazole-4-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-[4-(trifluoromethyl)cyclohexen-1-yl]pyrazole-4-carboxylic acid Formula: C22H30F3N3O3 MolecularWeight: 441.48711

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CCC(CC3)C(F)(F)F)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CCC(CC3)C(F)(F)F)C(C)C

InChI

InChI=1S/C22H30F3N3O3/c1-13(2)28(20(29)15-6-4-14(3)5-7-15)19-18(21(30)31)12-27(26-19)17-10-8-16(9-11-17)22(23,24)25/h10,12-16H,4-9,11H2,1-3H3,(H,30,31)