2-[[1-[3-(5,6-dimethoxynaphthalen-1-yl)-2-oxidanyl-propyl]azepan-3-yl]methyl]-5,6-dimethoxy-3H-isoindol-1-one

Systemtic Name: 2-[[1-[3-(5,6-dimethoxynaphthalen-1-yl)-2-oxidanyl-propyl]azepan-3-yl]methyl]-5,6-dimethoxy-3H-isoindol-1-one Openeye Name: 2-[[1-[3-(5,6-dimethoxy-1-naphthyl)-2-hydroxy-propyl]azepan-3-yl]methyl]-5,6-dimethoxy-isoindolin-1-one CAS Name: 2-[[1-[3-(5,6-dimethoxy-1-naphthalenyl)-2-hydroxypropyl]-3-azepanyl]methyl]-5,6-dimethoxy-3H-isoindol-1-one IUPAC Name: 2-[[1-[3-(5,6-dimethoxynaphthalen-1-yl)-2-hydroxypropyl]azepan-3-yl]methyl]-5,6-dimethoxy-3H-isoindol-1-one Traditional Name: 2-[[1-[3-(5,6-dimethoxy-1-naphthyl)-2-hydroxy-propyl]azepan-3-yl]methyl]-5,6-dimethoxy-isoindolin-1-one Formula: C32H40N2O6 MolecularWeight: 548.6698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C2=C(C=C1)C(=CC=C2)CC(CN3CCCCC(C3)CN4CC5=CC(=C(C=C5C4=O)OC)OC)O)OC

Isomeric SMILES

COC1=C(C2=C(C=C1)C(=CC=C2)CC(CN3CCCCC(C3)CN4CC5=CC(=C(C=C5C4=O)OC)OC)O)OC

InChI

InChI=1S/C32H40N2O6/c1-37-28-12-11-25-22(9-7-10-26(25)31(28)40-4)14-24(35)20-33-13-6-5-8-21(17-33)18-34-19-23-15-29(38-2)30(39-3)16-27(23)32(34)36/h7,9-12,15-16,21,24,35H,5-6,8,13-14,17-20H2,1-4H3