propan-2-yl 2-azanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate hydrochloride

Systemtic Name: propan-2-yl 2-azanyl-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate hydrochloride Openeye Name: isopropyl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate hydrochloride CAS Name: 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid propan-2-yl ester hydrochloride IUPAC Name: propan-2-yl 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylate hydrochloride Traditional Name: 2-amino-4,5,6,7-tetrahydro-1H-1,3-diazepine-7-carboxylic acid isopropyl ester hydrochloride Formula: C9H18ClN3O2 MolecularWeight: 235.71112

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1CCCN=C(N1)N.Cl

Isomeric SMILES

CC(C)OC(=O)C1CCCN=C(N1)N.Cl

InChI

InChI=1S/C9H17N3O2.ClH/c1-6(2)14-8(13)7-4-3-5-11-9(10)12-7;/h6-7H,3-5H2,1-2H3,(H3,10,11,12);1H