1-[(4-bromanyl-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 1-[(4-bromanyl-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Openeye Name: 1-[(4-bromo-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline CAS Name: 1-[(4-bromo-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 1-[(4-bromo-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Traditional Name: 1-[(4-bromo-1,3-benzodioxol-5-yl)methyl]-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline Formula: C19H20BrNO4 MolecularWeight: 406.2704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(NCCC2=C1)CC3=C(C4=C(C=C3)OCO4)Br)OC

Isomeric SMILES

COC1=C(C=C2C(NCCC2=C1)CC3=C(C4=C(C=C3)OCO4)Br)OC

InChI

InChI=1S/C19H20BrNO4/c1-22-16-8-11-5-6-21-14(13(11)9-17(16)23-2)7-12-3-4-15-19(18(12)20)25-10-24-15/h3-4,8-9,14,21H,5-7,10H2,1-2H3