4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-isoquinoline

Systemtic Name: 4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-isoquinoline Openeye Name: 4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxy-isoquinoline CAS Name: 4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline IUPAC Name: 4-(1,3-benzodioxol-5-ylmethyl)-6,7-dimethoxyisoquinoline Traditional Name: 6,7-dimethoxy-4-piperonyl-isoquinoline Formula: C19H17NO4 MolecularWeight: 323.34258

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C=NC=C2CC3=CC4=C(C=C3)OCO4)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C=NC=C2CC3=CC4=C(C=C3)OCO4)OC

InChI

InChI=1S/C19H17NO4/c1-21-17-7-14-10-20-9-13(15(14)8-18(17)22-2)5-12-3-4-16-19(6-12)24-11-23-16/h3-4,6-10H,5,11H2,1-2H3