tert-butyl 4-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]piperazine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]piperazine-1-carboxylate Openeye Name: tert-butyl 4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxylate CAS Name: 4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]-1-piperazinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxylate Traditional Name: 4-[2-keto-2-[2-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxylic acid tert-butyl ester Formula: C18H24F3N3O3 MolecularWeight: 387.39667

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CC1)CC(=O)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C18H24F3N3O3/c1-17(2,3)27-16(26)24-10-8-23(9-11-24)12-15(25)22-14-7-5-4-6-13(14)18(19,20)21/h4-7H,8-12H2,1-3H3,(H,22,25)