1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxidanylideneazepan-3-yl)urea

Systemtic Name: 1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxidanylideneazepan-3-yl)urea Openeye Name: 1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea CAS Name: 1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxo-3-azepanyl)urea IUPAC Name: 1-[(2,3-dimethoxyphenyl)methyl]-1-methyl-3-(2-oxoazepan-3-yl)urea Traditional Name: 3-(2-ketoazepan-3-yl)-1-methyl-1-o-veratryl-urea Formula: C17H25N3O4 MolecularWeight: 335.3981

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=C(C(=CC=C1)OC)OC)C(=O)NC2CCCCNC2=O

Isomeric SMILES

CN(CC1=C(C(=CC=C1)OC)OC)C(=O)NC2CCCCNC2=O

InChI

InChI=1S/C17H25N3O4/c1-20(11-12-7-6-9-14(23-2)15(12)24-3)17(22)19-13-8-4-5-10-18-16(13)21/h6-7,9,13H,4-5,8,10-11H2,1-3H3,(H,18,21)(H,19,22)