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

Systemtic Name: 5,6-dimethoxy-2-[3-[methyl(3-pyridin-3-ylpropyl)amino]propyl]-3H-isoindol-1-one hydrochloride Openeye Name: 5,6-dimethoxy-2-[3-[methyl-[3-(3-pyridyl)propyl]amino]propyl]isoindolin-1-one hydrochloride CAS Name: 5,6-dimethoxy-2-[3-[methyl-[3-(3-pyridinyl)propyl]amino]propyl]-3H-isoindol-1-one hydrochloride IUPAC Name: 5,6-dimethoxy-2-[3-[methyl(3-pyridin-3-ylpropyl)amino]propyl]-3H-isoindol-1-one hydrochloride Traditional Name: 5,6-dimethoxy-2-[3-[methyl-[3-(3-pyridyl)propyl]amino]propyl]isoindolin-1-one hydrochloride Formula: C22H30ClN3O3 MolecularWeight: 419.9449

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC1=CN=CC=C1)CCCN2CC3=CC(=C(C=C3C2=O)OC)OC.Cl

Isomeric SMILES

CN(CCCC1=CN=CC=C1)CCCN2CC3=CC(=C(C=C3C2=O)OC)OC.Cl

InChI

InChI=1S/C22H29N3O3.ClH/c1-24(10-5-8-17-7-4-9-23-15-17)11-6-12-25-16-18-13-20(27-2)21(28-3)14-19(18)22(25)26;/h4,7,9,13-15H,5-6,8,10-12,16H2,1-3H3;1H