(2-chlorophenyl)methyl 4-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (2-chlorophenyl)methyl 4-[2-oxidanylidene-2-(phenethylamino)ethyl]-1,4-diazepane-1-carboxylate Openeye Name: (2-chlorophenyl)methyl 4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepane-1-carboxylic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 4-[2-oxo-2-(phenethylamino)ethyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[2-keto-2-(phenethylamino)ethyl]-1,4-diazepane-1-carboxylic acid (2-chlorobenzyl) ester Formula: C23H28ClN3O3 MolecularWeight: 429.93972

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2Cl)CC(=O)NCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2Cl)CC(=O)NCCC3=CC=CC=C3

InChI

InChI=1S/C23H28ClN3O3/c24-21-10-5-4-9-20(21)18-30-23(29)27-14-6-13-26(15-16-27)17-22(28)25-12-11-19-7-2-1-3-8-19/h1-5,7-10H,6,11-18H2,(H,25,28)