5,6-dimethoxy-1-[[1-[2-(6-methylpyridin-2-yl)ethyl]azepan-3-yl]methyl]-2,3-dihydro-1H-isoindole

Systemtic Name: 5,6-dimethoxy-1-[[1-[2-(6-methylpyridin-2-yl)ethyl]azepan-3-yl]methyl]-2,3-dihydro-1H-isoindole Openeye Name: 5,6-dimethoxy-1-[[1-[2-(6-methyl-2-pyridyl)ethyl]azepan-3-yl]methyl]isoindoline CAS Name: 5,6-dimethoxy-1-[[1-[2-(6-methyl-2-pyridinyl)ethyl]-3-azepanyl]methyl]-2,3-dihydro-1H-isoindole IUPAC Name: 5,6-dimethoxy-1-[[1-[2-(6-methylpyridin-2-yl)ethyl]azepan-3-yl]methyl]-2,3-dihydro-1H-isoindole Traditional Name: 5,6-dimethoxy-1-[[1-[2-(6-methyl-2-pyridyl)ethyl]azepan-3-yl]methyl]isoindoline Formula: C25H35N3O2 MolecularWeight: 409.5643

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)CCN2CCCCC(C2)CC3C4=CC(=C(C=C4CN3)OC)OC

Isomeric SMILES

CC1=NC(=CC=C1)CCN2CCCCC(C2)CC3C4=CC(=C(C=C4CN3)OC)OC

InChI

InChI=1S/C25H35N3O2/c1-18-7-6-9-21(27-18)10-12-28-11-5-4-8-19(17-28)13-23-22-15-25(30-3)24(29-2)14-20(22)16-26-23/h6-7,9,14-15,19,23,26H,4-5,8,10-13,16-17H2,1-3H3