5-bromanyl-1-[(3,4-dimethoxyphenyl)methyl]isoquinoline

Systemtic Name: 5-bromanyl-1-[(3,4-dimethoxyphenyl)methyl]isoquinoline Openeye Name: 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]isoquinoline CAS Name: 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]isoquinoline IUPAC Name: 5-bromo-1-[(3,4-dimethoxyphenyl)methyl]isoquinoline Traditional Name: 5-bromo-1-veratryl-isoquinoline Formula: C18H16BrNO2 MolecularWeight: 358.22914

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC2=NC=CC3=C2C=CC=C3Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC2=NC=CC3=C2C=CC=C3Br)OC

InChI

InChI=1S/C18H16BrNO2/c1-21-17-7-6-12(11-18(17)22-2)10-16-14-4-3-5-15(19)13(14)8-9-20-16/h3-9,11H,10H2,1-2H3