2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]azepan-3-yl]methyl]-5,6-dimethoxy-3H-isoindol-1-one

Systemtic Name: 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]azepan-3-yl]methyl]-5,6-dimethoxy-3H-isoindol-1-one Openeye Name: 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]azepan-3-yl]methyl]-5,6-dimethoxy-isoindolin-1-one CAS Name: 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]-3-azepanyl]methyl]-5,6-dimethoxy-3H-isoindol-1-one IUPAC Name: 2-[[1-[2-(3,4-dimethoxyphenyl)ethyl]azepan-3-yl]methyl]-5,6-dimethoxy-3H-isoindol-1-one Traditional Name: 2-[(1-homoveratrylazepan-3-yl)methyl]-5,6-dimethoxy-isoindolin-1-one Formula: C27H36N2O5 MolecularWeight: 468.58514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CCN2CCCCC(C2)CN3CC4=CC(=C(C=C4C3=O)OC)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CCN2CCCCC(C2)CN3CC4=CC(=C(C=C4C3=O)OC)OC)OC

InChI

InChI=1S/C27H36N2O5/c1-31-23-9-8-19(13-24(23)32-2)10-12-28-11-6-5-7-20(16-28)17-29-18-21-14-25(33-3)26(34-4)15-22(21)27(29)30/h8-9,13-15,20H,5-7,10-12,16-18H2,1-4H3