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

Systemtic Name: 2-[[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azepan-3-yl]methyl]-5,6-dimethoxy-3H-isoindol-1-one Openeye Name: 2-[[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azepan-3-yl]methyl]-5,6-dimethoxy-isoindolin-1-one CAS Name: 2-[[1-[3-(1,3-benzodioxol-5-yloxy)propyl]-3-azepanyl]methyl]-5,6-dimethoxy-3H-isoindol-1-one IUPAC Name: 2-[[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azepan-3-yl]methyl]-5,6-dimethoxy-3H-isoindol-1-one Traditional Name: 2-[[1-[3-(1,3-benzodioxol-5-yloxy)propyl]azepan-3-yl]methyl]-5,6-dimethoxy-isoindolin-1-one Formula: C27H34N2O6 MolecularWeight: 482.56866

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CN(C2=O)CC3CCCCN(C3)CCCOC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CN(C2=O)CC3CCCCN(C3)CCCOC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C27H34N2O6/c1-31-24-12-20-17-29(27(30)22(20)14-25(24)32-2)16-19-6-3-4-9-28(15-19)10-5-11-33-21-7-8-23-26(13-21)35-18-34-23/h7-8,12-14,19H,3-6,9-11,15-18H2,1-2H3