2-methylpropyl 2-azanyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate

Systemtic Name: 2-methylpropyl 2-azanyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate Openeye Name: isobutyl 2-amino-3,5-dihydro-1,4-benzodiazepine-4-carboxylate CAS Name: 2-amino-3,5-dihydro-1,4-benzodiazepine-4-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-amino-3,5-dihydro-1,4-benzodiazepine-4-carboxylate Traditional Name: 2-amino-3,5-dihydro-1,4-benzodiazepine-4-carboxylic acid isobutyl ester Formula: C14H19N3O2 MolecularWeight: 261.31956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)N1CC2=CC=CC=C2N=C(C1)N

Isomeric SMILES

CC(C)COC(=O)N1CC2=CC=CC=C2N=C(C1)N

InChI

InChI=1S/C14H19N3O2/c1-10(2)9-19-14(18)17-7-11-5-3-4-6-12(11)16-13(15)8-17/h3-6,10H,7-9H2,1-2H3,(H2,15,16)