(phenylmethyl) 4-azanyl-1,4-diazepane-1-carboxylate

Systemtic Name: (phenylmethyl) 4-azanyl-1,4-diazepane-1-carboxylate Openeye Name: benzyl 4-amino-1,4-diazepane-1-carboxylate CAS Name: 4-amino-1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-amino-1,4-diazepane-1-carboxylate Traditional Name: 4-amino-1,4-diazepane-1-carboxylic acid benzyl ester Formula: C13H19N3O2 MolecularWeight: 249.30886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)N)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CN(CCN(C1)N)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H19N3O2/c14-16-8-4-7-15(9-10-16)13(17)18-11-12-5-2-1-3-6-12/h1-3,5-6H,4,7-11,14H2