5,6-dimethoxy-2-[3-[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]propyl]-3H-isoindol-1-one

Systemtic Name: 5,6-dimethoxy-2-[3-[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]propyl]-3H-isoindol-1-one Openeye Name: 5,6-dimethoxy-2-[3-[1-[3-(3-pyridyl)propyl]-3-piperidyl]propyl]isoindolin-1-one CAS Name: 5,6-dimethoxy-2-[3-[1-[3-(3-pyridinyl)propyl]-3-piperidinyl]propyl]-3H-isoindol-1-one IUPAC Name: 5,6-dimethoxy-2-[3-[1-(3-pyridin-3-ylpropyl)piperidin-3-yl]propyl]-3H-isoindol-1-one Traditional Name: 5,6-dimethoxy-2-[3-[1-[3-(3-pyridyl)propyl]-3-piperidyl]propyl]isoindolin-1-one Formula: C26H35N3O3 MolecularWeight: 437.5744

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)CN(C2=O)CCCC3CCCN(C3)CCCC4=CN=CC=C4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)CN(C2=O)CCCC3CCCN(C3)CCCC4=CN=CC=C4)OC

InChI

InChI=1S/C26H35N3O3/c1-31-24-15-22-19-29(26(30)23(22)16-25(24)32-2)14-6-10-21-9-5-13-28(18-21)12-4-8-20-7-3-11-27-17-20/h3,7,11,15-17,21H,4-6,8-10,12-14,18-19H2,1-2H3