tert-butyl 8-azanyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate

Systemtic Name: tert-butyl 8-azanyl-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Openeye Name: tert-butyl 8-amino-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate CAS Name: 8-amino-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 8-amino-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylate Traditional Name: 8-amino-1,2,3,5-tetrahydro-1,4-benzodiazepine-4-carboxylic acid tert-butyl ester Formula: C14H21N3O2 MolecularWeight: 263.33544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCNC2=C(C1)C=CC(=C2)N

Isomeric SMILES

CC(C)(C)OC(=O)N1CCNC2=C(C1)C=CC(=C2)N

InChI

InChI=1S/C14H21N3O2/c1-14(2,3)19-13(18)17-7-6-16-12-8-11(15)5-4-10(12)9-17/h4-5,8,16H,6-7,9,15H2,1-3H3