5,6-dimethoxy-3-[[1-[3-(6-methoxynaphthalen-1-yl)-2-oxidanyl-propyl]azepan-3-yl]methyl]-2,3-dihydroisoindol-1-one

Systemtic Name: 5,6-dimethoxy-3-[[1-[3-(6-methoxynaphthalen-1-yl)-2-oxidanyl-propyl]azepan-3-yl]methyl]-2,3-dihydroisoindol-1-one Openeye Name: 3-[[1-[2-hydroxy-3-(6-methoxy-1-naphthyl)propyl]azepan-3-yl]methyl]-5,6-dimethoxy-isoindolin-1-one CAS Name: 3-[[1-[2-hydroxy-3-(6-methoxy-1-naphthalenyl)propyl]-3-azepanyl]methyl]-5,6-dimethoxy-2,3-dihydroisoindol-1-one IUPAC Name: 3-[[1-[2-hydroxy-3-(6-methoxynaphthalen-1-yl)propyl]azepan-3-yl]methyl]-5,6-dimethoxy-2,3-dihydroisoindol-1-one Traditional Name: 3-[[1-[2-hydroxy-3-(6-methoxy-1-naphthyl)propyl]azepan-3-yl]methyl]-5,6-dimethoxy-isoindolin-1-one Formula: C31H38N2O5 MolecularWeight: 518.64382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC=C2)CC(CN3CCCCC(C3)CC4C5=CC(=C(C=C5C(=O)N4)OC)OC)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC=C2)CC(CN3CCCCC(C3)CC4C5=CC(=C(C=C5C(=O)N4)OC)OC)O

InChI

InChI=1S/C31H38N2O5/c1-36-24-10-11-25-21(8-6-9-22(25)15-24)14-23(34)19-33-12-5-4-7-20(18-33)13-28-26-16-29(37-2)30(38-3)17-27(26)31(35)32-28/h6,8-11,15-17,20,23,28,34H,4-5,7,12-14,18-19H2,1-3H3,(H,32,35)