ethyl 1-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(1,1-dimethylpropylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[4-[(2-methylbutan-2-ylamino)-oxomethyl]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(2-methylbutan-2-ylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[4-(tert-amylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C19H22F3N3O3 MolecularWeight: 397.39149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)NC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OCC)C(F)(F)F

Isomeric SMILES

CCC(C)(C)NC(=O)C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)OCC)C(F)(F)F

InChI

InChI=1S/C19H22F3N3O3/c1-5-18(3,4)24-16(26)12-7-9-13(10-8-12)25-15(19(20,21)22)14(11-23-25)17(27)28-6-2/h7-11H,5-6H2,1-4H3,(H,24,26)