tert-butyl 3-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]methyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 3-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]methyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 3-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane-1-carboxylate CAS Name: 3-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-oxo-2-[[4-(trifluoromethoxy)phenyl]methyl]-1,4-diazepane-1-carboxylate Traditional Name: 3-keto-2-[4-(trifluoromethoxy)benzyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C18H23F3N2O4 MolecularWeight: 388.38143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCNC(=O)C1CC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCNC(=O)C1CC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C18H23F3N2O4/c1-17(2,3)27-16(25)23-10-4-9-22-15(24)14(23)11-12-5-7-13(8-6-12)26-18(19,20)21/h5-8,14H,4,9-11H2,1-3H3,(H,22,24)