tert-butyl 2-(2-oxidanylidene-1H-imidazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 2-(2-oxidanylidene-1H-imidazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate Openeye Name: tert-butyl 2-(2-oxo-1H-imidazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate CAS Name: 2-(2-oxo-1H-imidazol-3-yl)-4-[3-(trifluoromethyl)phenyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(2-oxo-1H-imidazol-3-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylate Traditional Name: 2-(2-keto-4-imidazolin-1-yl)-4-[3-(trifluoromethyl)phenyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H24F3N3O3 MolecularWeight: 411.41807

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1N2C=CNC2=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1N2C=CNC2=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C20H24F3N3O3/c1-19(2,3)29-18(28)26-9-7-14(12-16(26)25-10-8-24-17(25)27)13-5-4-6-15(11-13)20(21,22)23/h4-6,8,10-11,14,16H,7,9,12H2,1-3H3,(H,24,27)