2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-6,7-dimethoxy-4,4-dimethyl-3H-isoquinolin-1-one

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-6,7-dimethoxy-4,4-dimethyl-3H-isoquinolin-1-one Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methyl-amino]propyl]-6,7-dimethoxy-4,4-dimethyl-3H-isoquinolin-1-one CAS Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-6,7-dimethoxy-4,4-dimethyl-3H-isoquinolin-1-one IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]propyl]-6,7-dimethoxy-4,4-dimethyl-3H-isoquinolin-1-one Traditional Name: 2-[3-[homoveratryl(methyl)amino]propyl]-6,7-dimethoxy-4,4-dimethyl-3H-isoquinolin-1-one Formula: C27H38N2O5 MolecularWeight: 470.60102

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=O)C2=CC(=C(C=C21)OC)OC)CCCN(C)CCC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1(CN(C(=O)C2=CC(=C(C=C21)OC)OC)CCCN(C)CCC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C27H38N2O5/c1-27(2)18-29(26(30)20-16-24(33-6)25(34-7)17-21(20)27)13-8-12-28(3)14-11-19-9-10-22(31-4)23(15-19)32-5/h9-10,15-17H,8,11-14,18H2,1-7H3