4-[(2-chloranyl-4,5-dimethoxy-phenyl)methyl]-6-oxidanyl-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one

Systemtic Name: 4-[(2-chloranyl-4,5-dimethoxy-phenyl)methyl]-6-oxidanyl-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Openeye Name: 4-[(2-chloro-4,5-dimethoxy-phenyl)methyl]-6-hydroxy-1-(3-pyridylmethyl)-1,4-diazepan-2-one CAS Name: 4-[(2-chloro-4,5-dimethoxyphenyl)methyl]-6-hydroxy-1-(3-pyridinylmethyl)-1,4-diazepan-2-one IUPAC Name: 4-[(2-chloro-4,5-dimethoxyphenyl)methyl]-6-hydroxy-1-(pyridin-3-ylmethyl)-1,4-diazepan-2-one Traditional Name: 4-(2-chloro-4,5-dimethoxy-benzyl)-6-hydroxy-1-(3-pyridylmethyl)-1,4-diazepan-2-one Formula: C20H24ClN3O4 MolecularWeight: 405.87526

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CN2CC(CN(C(=O)C2)CC3=CN=CC=C3)O)Cl)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CN2CC(CN(C(=O)C2)CC3=CN=CC=C3)O)Cl)OC

InChI

InChI=1S/C20H24ClN3O4/c1-27-18-6-15(17(21)7-19(18)28-2)10-23-11-16(25)12-24(20(26)13-23)9-14-4-3-5-22-8-14/h3-8,16,25H,9-13H2,1-2H3