(2-chlorophenyl)methyl 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carboxylate

Systemtic Name: (2-chlorophenyl)methyl 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carboxylate Openeye Name: (2-chlorophenyl)methyl 4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carboxylate CAS Name: 4-[(5-methyl-3-isoxazolyl)methyl]-1,4-diazepane-1-carboxylic acid (2-chlorophenyl)methyl ester IUPAC Name: (2-chlorophenyl)methyl 4-[(5-methyl-1,2-oxazol-3-yl)methyl]-1,4-diazepane-1-carboxylate Traditional Name: 4-[(5-methylisoxazol-3-yl)methyl]-1,4-diazepane-1-carboxylic acid (2-chlorobenzyl) ester Formula: C18H22ClN3O3 MolecularWeight: 363.83858

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)OCC3=CC=CC=C3Cl

Isomeric SMILES

CC1=CC(=NO1)CN2CCCN(CC2)C(=O)OCC3=CC=CC=C3Cl

InChI

InChI=1S/C18H22ClN3O3/c1-14-11-16(20-25-14)12-21-7-4-8-22(10-9-21)18(23)24-13-15-5-2-3-6-17(15)19/h2-3,5-6,11H,4,7-10,12-13H2,1H3