ethyl 5-methyl-1-[4-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]pyrazole-4-carboxylate

Systemtic Name: ethyl 5-methyl-1-[4-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]pyrazole-4-carboxylate Openeye Name: ethyl 5-methyl-1-[4-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]pyrazole-4-carboxylate CAS Name: 5-methyl-1-[4-[oxo-[[3-(trifluoromethyl)cyclohexyl]amino]methyl]phenyl]-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-1-[4-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]pyrazole-4-carboxylate Traditional Name: 5-methyl-1-[4-[[3-(trifluoromethyl)cyclohexyl]carbamoyl]phenyl]pyrazole-4-carboxylic acid ethyl ester Formula: C21H24F3N3O3 MolecularWeight: 423.42877

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3CCCC(C3)C(F)(F)F)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC3CCCC(C3)C(F)(F)F)C

InChI

InChI=1S/C21H24F3N3O3/c1-3-30-20(29)18-12-25-27(13(18)2)17-9-7-14(8-10-17)19(28)26-16-6-4-5-15(11-16)21(22,23)24/h7-10,12,15-16H,3-6,11H2,1-2H3,(H,26,28)