ethyl 1-[4-(tert-butylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-(tert-butylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(tert-butylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[4-[(tert-butylamino)-oxomethyl]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-(tert-butylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[4-(tert-butylcarbamoyl)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C18H20F3N3O3 MolecularWeight: 383.36491

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC(C)(C)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC=C(C=C2)C(=O)NC(C)(C)C)C(F)(F)F

InChI

InChI=1S/C18H20F3N3O3/c1-5-27-16(26)13-10-22-24(14(13)18(19,20)21)12-8-6-11(7-9-12)15(25)23-17(2,3)4/h6-10H,5H2,1-4H3,(H,23,25)