tert-butyl 2-(1,4-diazepan-1-yl)-4-[1-[(2-methylpropan-2-yl)oxy]ethyl]benzimidazole-1-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C(=CC=C1)N(C(=N2)N3CCCNCC3)C(=O)OC(C)(C)C)OC(C)(C)C

Isomeric SMILES

CC(C1=C2C(=CC=C1)N(C(=N2)N3CCCNCC3)C(=O)OC(C)(C)C)OC(C)(C)C

InChI

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