ethyl 4-azanyl-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate

Systemtic Name: ethyl 4-azanyl-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Openeye Name: ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate CAS Name: 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylate Traditional Name: 4-amino-2-ethyl-1H-1,5-benzodiazepine-3-carboxylic acid ethyl ester Formula: C14H17N3O2 MolecularWeight: 259.30368

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC2=CC=CC=C2N1)N)C(=O)OCC

Isomeric SMILES

CCC1=C(C(=NC2=CC=CC=C2N1)N)C(=O)OCC

InChI

InChI=1S/C14H17N3O2/c1-3-9-12(14(18)19-4-2)13(15)17-11-8-6-5-7-10(11)16-9/h5-8,16H,3-4H2,1-2H3,(H2,15,17)