(2-chlorophenyl)methyl 4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxylate

Systemtic Name: (2-chlorophenyl)methyl 4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxylate Openeye Name: (2-chlorophenyl)methyl 4-(3-pyridylmethyl)-1,4-diazepane-1-carboxylate CAS Name: 4-(3-pyridinylmethyl)-1,4-diazepane-1-carboxylic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 4-(pyridin-3-ylmethyl)-1,4-diazepane-1-carboxylate Traditional Name: 4-(3-pyridylmethyl)-1,4-diazepane-1-carboxylic acid (2-chlorobenzyl) ester Formula: C19H22ClN3O2 MolecularWeight: 359.84988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2Cl)CC3=CN=CC=C3

Isomeric SMILES

C1CN(CCN(C1)C(=O)OCC2=CC=CC=C2Cl)CC3=CN=CC=C3

InChI

InChI=1S/C19H22ClN3O2/c20-18-7-2-1-6-17(18)15-25-19(24)23-10-4-9-22(11-12-23)14-16-5-3-8-21-13-16/h1-3,5-8,13H,4,9-12,14-15H2