2-[3-[2-(6,7-dimethoxyisoquinolin-4-yl)ethyl-methyl-amino]propyl]-5,6-dimethyl-3H-isoindol-1-one

Systemtic Name: 2-[3-[2-(6,7-dimethoxyisoquinolin-4-yl)ethyl-methyl-amino]propyl]-5,6-dimethyl-3H-isoindol-1-one Openeye Name: 2-[3-[2-(6,7-dimethoxy-4-isoquinolyl)ethyl-methyl-amino]propyl]-5,6-dimethyl-isoindolin-1-one CAS Name: 2-[3-[2-(6,7-dimethoxy-4-isoquinolinyl)ethyl-methylamino]propyl]-5,6-dimethyl-3H-isoindol-1-one IUPAC Name: 2-[3-[2-(6,7-dimethoxyisoquinolin-4-yl)ethyl-methylamino]propyl]-5,6-dimethyl-3H-isoindol-1-one Traditional Name: 2-[3-[2-(6,7-dimethoxy-4-isoquinolyl)ethyl-methyl-amino]propyl]-5,6-dimethyl-isoindolin-1-one Formula: C27H33N3O3 MolecularWeight: 447.56922

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)CN(C2=O)CCCN(C)CCC3=CN=CC4=CC(=C(C=C43)OC)OC)C

Isomeric SMILES

CC1=C(C=C2C(=C1)CN(C2=O)CCCN(C)CCC3=CN=CC4=CC(=C(C=C43)OC)OC)C

InChI

InChI=1S/C27H33N3O3/c1-18-11-22-17-30(27(31)24(22)12-19(18)2)9-6-8-29(3)10-7-20-15-28-16-21-13-25(32-4)26(33-5)14-23(20)21/h11-16H,6-10,17H2,1-5H3