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

Systemtic Name: (phenylmethyl) 1,4-diazepane-1-carboxylate Openeye Name: benzyl 1,4-diazepane-1-carboxylate CAS Name: 1,4-diazepane-1-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1,4-diazepane-1-carboxylate Traditional Name: 1,4-diazepane-1-carboxylic acid benzyl ester Formula: C13H18N2O2 MolecularWeight: 234.29422

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

C1CNCCN(C1)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C13H18N2O2/c16-13(15-9-4-7-14-8-10-15)17-11-12-5-2-1-3-6-12/h1-3,5-6,14H,4,7-11H2