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

Systemtic Name: tert-butyl 2-(1H-benzimidazol-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 2-(1H-benzimidazol-2-yl)-4-(1-tert-butoxyethyl)-1,4-diazepane-1-carboxylate CAS Name: 2-(1H-benzimidazol-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 2-(1H-benzimidazol-2-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]-1,4-diazepane-1-carboxylate Traditional Name: 2-(1H-benzimidazol-2-yl)-4-(1-tert-butoxyethyl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C23H36N4O3 MolecularWeight: 416.55694

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Descriptors Computed from Structure

Canonical SMILES:

CC(N1CCCN(C(C1)C2=NC3=CC=CC=C3N2)C(=O)OC(C)(C)C)OC(C)(C)C

Isomeric SMILES

CC(N1CCCN(C(C1)C2=NC3=CC=CC=C3N2)C(=O)OC(C)(C)C)OC(C)(C)C

InChI

InChI=1S/C23H36N4O3/c1-16(29-22(2,3)4)26-13-10-14-27(21(28)30-23(5,6)7)19(15-26)20-24-17-11-8-9-12-18(17)25-20/h8-9,11-12,16,19H,10,13-15H2,1-7H3,(H,24,25)