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

Systemtic Name: 5,6-dimethoxy-2-[[1-[3-(6-methoxynaphthalen-1-yl)-2-oxidanyl-propyl]azepan-3-yl]methyl]-3H-isoindol-1-one Openeye Name: 2-[[1-[2-hydroxy-3-(6-methoxy-1-naphthyl)propyl]azepan-3-yl]methyl]-5,6-dimethoxy-isoindolin-1-one CAS Name: 2-[[1-[2-hydroxy-3-(6-methoxy-1-naphthalenyl)propyl]-3-azepanyl]methyl]-5,6-dimethoxy-3H-isoindol-1-one IUPAC Name: 2-[[1-[2-hydroxy-3-(6-methoxynaphthalen-1-yl)propyl]azepan-3-yl]methyl]-5,6-dimethoxy-3H-isoindol-1-one Traditional Name: 2-[[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)CN4CC5=CC(=C(C=C5C4=O)OC)OC)O

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC=C2)CC(CN3CCCCC(C3)CN4CC5=CC(=C(C=C5C4=O)OC)OC)O

InChI

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