tert-butyl 1-(cyanomethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate

Systemtic Name: tert-butyl 1-(cyanomethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 1-(cyanomethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate CAS Name: 1-(cyanomethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 1-(cyanomethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylate Traditional Name: 1-(cyanomethyl)-3,5-dihydro-2H-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(C2=CC=CC=C2C1)CC#N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(C2=CC=CC=C2C1)CC#N

InChI

InChI=1S/C16H21N3O2/c1-16(2,3)21-15(20)19-11-10-18(9-8-17)14-7-5-4-6-13(14)12-19/h4-7H,9-12H2,1-3H3