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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCCCN2CCCCC(C2)CN3CC4=CC(=C(C=C4C3=O)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)OCCCN2CCCCC(C2)CN3CC4=CC(=C(C=C4C3=O)OC)OC

InChI

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