propan-2-yl 2-azanyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate

Systemtic Name: propan-2-yl 2-azanyl-3,5-dihydro-1,4-benzodiazepine-4-carboxylate Openeye Name: isopropyl 2-amino-3,5-dihydro-1,4-benzodiazepine-4-carboxylate CAS Name: 2-amino-3,5-dihydro-1,4-benzodiazepine-4-carboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-amino-3,5-dihydro-1,4-benzodiazepine-4-carboxylate Traditional Name: 2-amino-3,5-dihydro-1,4-benzodiazepine-4-carboxylic acid isopropyl ester Formula: C13H17N3O2 MolecularWeight: 247.29298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2/c1-9(2)18-13(17)16-7-10-5-3-4-6-11(10)15-12(14)8-16/h3-6,9H,7-8H2,1-2H3,(H2,14,15)