tert-butyl 4-[1-[2-(trifluoromethyloxy)ethyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[1-[2-(trifluoromethyloxy)ethyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[1-[2-(trifluoromethoxy)ethyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate CAS Name: 4-[1-[2-(trifluoromethoxy)ethyl]-2-benzimidazolyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-[2-(trifluoromethoxy)ethyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[1-[2-(trifluoromethoxy)ethyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C20H27F3N4O3 MolecularWeight: 428.44859

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N2CCOC(F)(F)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N2CCOC(F)(F)F

InChI

InChI=1S/C20H27F3N4O3/c1-19(2,3)30-18(28)26-10-6-9-25(11-12-26)17-24-15-7-4-5-8-16(15)27(17)13-14-29-20(21,22)23/h4-5,7-8H,6,9-14H2,1-3H3