5,6-dimethoxy-2-[3-[methyl(pyridin-3-ylmethyl)amino]propyl]-3H-isoindol-1-one dihydrochloride

Systemtic Name: 5,6-dimethoxy-2-[3-[methyl(pyridin-3-ylmethyl)amino]propyl]-3H-isoindol-1-one dihydrochloride Openeye Name: 5,6-dimethoxy-2-[3-[methyl(3-pyridylmethyl)amino]propyl]isoindolin-1-one dihydrochloride CAS Name: 5,6-dimethoxy-2-[3-[methyl(3-pyridinylmethyl)amino]propyl]-3H-isoindol-1-one dihydrochloride IUPAC Name: 5,6-dimethoxy-2-[3-[methyl(pyridin-3-ylmethyl)amino]propyl]-3H-isoindol-1-one dihydrochloride Traditional Name: 5,6-dimethoxy-2-[3-[methyl(3-pyridylmethyl)amino]propyl]isoindolin-1-one dihydrochloride Formula: C20H27Cl2N3O3 MolecularWeight: 428.35268

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCN1CC2=CC(=C(C=C2C1=O)OC)OC)CC3=CN=CC=C3.Cl.Cl

Isomeric SMILES

CN(CCCN1CC2=CC(=C(C=C2C1=O)OC)OC)CC3=CN=CC=C3.Cl.Cl

InChI

InChI=1S/C20H25N3O3.2ClH/c1-22(13-15-6-4-7-21-12-15)8-5-9-23-14-16-10-18(25-2)19(26-3)11-17(16)20(23)24;;/h4,6-7,10-12H,5,8-9,13-14H2,1-3H3;2*1H