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

Systemtic Name: tert-butyl 4-[1-[2-(cyanomethoxy)ethyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Openeye Name: tert-butyl 4-[1-[2-(cyanomethoxy)ethyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate CAS Name: 4-[1-[2-(cyanomethoxy)ethyl]-2-benzimidazolyl]-1,4-diazepane-1-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[1-[2-(cyanomethoxy)ethyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[1-[2-(cyanomethoxy)ethyl]benzimidazol-2-yl]-1,4-diazepane-1-carboxylic acid tert-butyl ester Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N2CCOCC#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CC1)C2=NC3=CC=CC=C3N2CCOCC#N

InChI

InChI=1S/C21H29N5O3/c1-21(2,3)29-20(27)25-11-6-10-24(12-13-25)19-23-17-7-4-5-8-18(17)26(19)14-16-28-15-9-22/h4-5,7-8H,6,10-16H2,1-3H3