4-[(3,5-dimethoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one

Systemtic Name: 4-[(3,5-dimethoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one Openeye Name: 4-[(3,5-dimethoxyphenyl)methyl]-1-(3-pyridylmethyl)-1,4-diazepan-5-one CAS Name: 4-[(3,5-dimethoxyphenyl)methyl]-1-(3-pyridinylmethyl)-1,4-diazepan-5-one IUPAC Name: 4-[(3,5-dimethoxyphenyl)methyl]-1-(pyridin-3-ylmethyl)-1,4-diazepan-5-one Traditional Name: 4-(3,5-dimethoxybenzyl)-1-(3-pyridylmethyl)-1,4-diazepan-5-one Formula: C20H25N3O3 MolecularWeight: 355.4308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CN2CCN(CCC2=O)CC3=CN=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CN2CCN(CCC2=O)CC3=CN=CC=C3)OC

InChI

InChI=1S/C20H25N3O3/c1-25-18-10-17(11-19(12-18)26-2)15-23-9-8-22(7-5-20(23)24)14-16-4-3-6-21-13-16/h3-4,6,10-13H,5,7-9,14-15H2,1-2H3