tert-butyl 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxidanylidene-1H-imidazol-3-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxidanylidene-1H-imidazol-3-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate CAS Name: 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[3,5-bis(trifluoromethyl)phenyl]-2-oxo-1H-imidazol-3-yl]piperidine-1-carboxylate Traditional Name: 4-[4-[3,5-bis(trifluoromethyl)phenyl]-2-keto-4-imidazolin-1-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H23F6N3O3 MolecularWeight: 479.416039

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(NC2=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)N2C=C(NC2=O)C3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C21H23F6N3O3/c1-19(2,3)33-18(32)29-6-4-15(5-7-29)30-11-16(28-17(30)31)12-8-13(20(22,23)24)10-14(9-12)21(25,26)27/h8-11,15H,4-7H2,1-3H3,(H,28,31)