tert-butyl 4-(1H-benzimidazol-4-yl)-1,4-diazepane-1-carboxylate

Systemtic Name: tert-butyl 4-(1H-benzimidazol-4-yl)-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-(1H-benzimidazol-4-yl)-1,4-diazepane-1-carboxylate CAS Name: 4-(1H-benzimidazol-4-yl)-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-(1H-benzimidazol-4-yl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(1H-benzimidazol-4-yl)-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C17H24N4O2 MolecularWeight: 316.39806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC=CC3=C2N=CN3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=CC=CC3=C2N=CN3

InChI

InChI=1S/C17H24N4O2/c1-17(2,3)23-16(22)21-9-5-8-20(10-11-21)14-7-4-6-13-15(14)19-12-18-13/h4,6-7,12H,5,8-11H2,1-3H3,(H,18,19)