tert-butyl 4-[1-(2-imidazol-1-ylethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-[1-(2-imidazol-1-ylethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[1-(2-imidazol-1-ylethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylate CAS Name: 4-[1-[2-(1-imidazolyl)ethyl]-2-benzimidazolyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-(2-imidazol-1-ylethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[1-(2-imidazol-1-ylethyl)benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C22H30N6O2 MolecularWeight: 410.5126

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N2CCN4C=CN=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N2CCN4C=CN=C4

InChI

InChI=1S/C22H30N6O2/c1-22(2,3)30-21(29)27-11-6-10-26(14-15-27)20-24-18-7-4-5-8-19(18)28(20)16-13-25-12-9-23-17-25/h4-5,7-9,12,17H,6,10-11,13-16H2,1-3H3