(2-chlorophenyl)methyl 4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (2-chlorophenyl)methyl 4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxylate Openeye Name: (2-chlorophenyl)methyl 4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane-1-carboxylic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane-1-carboxylic acid (2-chlorobenzyl) ester Formula: C18H23ClN4O2 MolecularWeight: 362.85382

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=CN=C1CN2CCCN(CC2)C(=O)OCC3=CC=CC=C3Cl

Isomeric SMILES

CN1C=CN=C1CN2CCCN(CC2)C(=O)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C18H23ClN4O2/c1-21-10-7-20-17(21)13-22-8-4-9-23(12-11-22)18(24)25-14-15-5-2-3-6-16(15)19/h2-3,5-7,10H,4,8-9,11-14H2,1H3