tert-butyl 4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[oxo-[4-(trifluoromethyl)anilino]methyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[[4-(trifluoromethyl)phenyl]carbamoyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C18H24F3N3O3 MolecularWeight: 387.39667

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)NC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C(=O)NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H24F3N3O3/c1-17(2,3)27-16(26)24-10-4-9-23(11-12-24)15(25)22-14-7-5-13(6-8-14)18(19,20)21/h5-8H,4,9-12H2,1-3H3,(H,22,25)