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

Systemtic Name: 5,6-dimethoxy-2-[[1-[2-(3-methylphenoxy)propyl]azepan-3-yl]methyl]-3H-isoindol-1-one Openeye Name: 5,6-dimethoxy-2-[[1-[2-(3-methylphenoxy)propyl]azepan-3-yl]methyl]isoindolin-1-one CAS Name: 5,6-dimethoxy-2-[[1-[2-(3-methylphenoxy)propyl]-3-azepanyl]methyl]-3H-isoindol-1-one IUPAC Name: 5,6-dimethoxy-2-[[1-[2-(3-methylphenoxy)propyl]azepan-3-yl]methyl]-3H-isoindol-1-one Traditional Name: 5,6-dimethoxy-2-[[1-[2-(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)OC(C)CN2CCCCC(C2)CN3CC4=CC(=C(C=C4C3=O)OC)OC

Isomeric SMILES

CC1=CC(=CC=C1)OC(C)CN2CCCCC(C2)CN3CC4=CC(=C(C=C4C3=O)OC)OC

InChI

InChI=1S/C27H36N2O4/c1-19-8-7-10-23(12-19)33-20(2)15-28-11-6-5-9-21(16-28)17-29-18-22-13-25(31-3)26(32-4)14-24(22)27(29)30/h7-8,10,12-14,20-21H,5-6,9,11,15-18H2,1-4H3