tert-butyl 1-[2-(1H-imidazol-5-yl)ethyl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: tert-butyl 1-[2-(1H-imidazol-5-yl)ethyl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 1-[2-(1H-imidazol-5-yl)ethyl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate CAS Name: 1-[2-(1H-imidazol-5-yl)ethyl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-[2-(1H-imidazol-5-yl)ethyl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Traditional Name: 1-[2-(1H-imidazol-5-yl)ethyl]-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C19H26N4O2 MolecularWeight: 342.43534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C2=CC=CC=C2C1)CCC3=CN=CN3

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C2=CC=CC=C2C1)CCC3=CN=CN3

InChI

InChI=1S/C19H26N4O2/c1-19(2,3)25-18(24)23-11-10-22(9-8-16-12-20-14-21-16)17-7-5-4-6-15(17)13-23/h4-7,12,14H,8-11,13H2,1-3H3,(H,20,21)