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

Systemtic Name: 5,6-dimethoxy-3-[[1-[3-(4-methoxyphenoxy)propyl]azepan-3-yl]methyl]-2,3-dihydroisoindol-1-one Openeye Name: 5,6-dimethoxy-3-[[1-[3-(4-methoxyphenoxy)propyl]azepan-3-yl]methyl]isoindolin-1-one CAS Name: 5,6-dimethoxy-3-[[1-[3-(4-methoxyphenoxy)propyl]-3-azepanyl]methyl]-2,3-dihydroisoindol-1-one IUPAC Name: 5,6-dimethoxy-3-[[1-[3-(4-methoxyphenoxy)propyl]azepan-3-yl]methyl]-2,3-dihydroisoindol-1-one Traditional Name: 5,6-dimethoxy-3-[[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)CC3C4=CC(=C(C=C4C(=O)N3)OC)OC

Isomeric SMILES

COC1=CC=C(C=C1)OCCCN2CCCCC(C2)CC3C4=CC(=C(C=C4C(=O)N3)OC)OC

InChI

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