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

Systemtic Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-6,7-dimethoxy-4,4-dimethyl-3H-isoquinolin-1-one Openeye Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-6,7-dimethoxy-4,4-dimethyl-3H-isoquinolin-1-one CAS Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-6,7-dimethoxy-4,4-dimethyl-3H-isoquinolin-1-one IUPAC Name: 2-[3-[2-(3,4-dimethoxyphenyl)ethylamino]propyl]-6,7-dimethoxy-4,4-dimethyl-3H-isoquinolin-1-one Traditional Name: 2-[3-(homoveratrylamino)propyl]-6,7-dimethoxy-4,4-dimethyl-3H-isoquinolin-1-one Formula: C26H36N2O5 MolecularWeight: 456.57444

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(C(=O)C2=CC(=C(C=C21)OC)OC)CCCNCCC3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1(CN(C(=O)C2=CC(=C(C=C21)OC)OC)CCCNCCC3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C26H36N2O5/c1-26(2)17-28(25(29)19-15-23(32-5)24(33-6)16-20(19)26)13-7-11-27-12-10-18-8-9-21(30-3)22(14-18)31-4/h8-9,14-16,27H,7,10-13,17H2,1-6H3