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

Systemtic Name: 5,6-dimethoxy-3-[[1-[3-(3-methylphenoxy)propyl]azepan-3-yl]methyl]-2,3-dihydroisoindol-1-one Openeye Name: 5,6-dimethoxy-3-[[1-[3-(3-methylphenoxy)propyl]azepan-3-yl]methyl]isoindolin-1-one CAS Name: 5,6-dimethoxy-3-[[1-[3-(3-methylphenoxy)propyl]-3-azepanyl]methyl]-2,3-dihydroisoindol-1-one IUPAC Name: 5,6-dimethoxy-3-[[1-[3-(3-methylphenoxy)propyl]azepan-3-yl]methyl]-2,3-dihydroisoindol-1-one Traditional Name: 5,6-dimethoxy-3-[[1-[3-(3-methylphenoxy)propyl]azepan-3-yl]methyl]isoindolin-1-one Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCN2CCCCC(C2)CC3C4=CC(=C(C=C4C(=O)N3)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCCCN2CCCCC(C2)CC3C4=CC(=C(C=C4C(=O)N3)OC)OC

InChI

InChI=1S/C27H36N2O4/c1-19-8-6-10-21(14-19)33-13-7-12-29-11-5-4-9-20(18-29)15-24-22-16-25(31-2)26(32-3)17-23(22)27(30)28-24/h6,8,10,14,16-17,20,24H,4-5,7,9,11-13,15,18H2,1-3H3,(H,28,30)