2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline

Systemtic Name: 2-[(6-bromanyl-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline Openeye Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline CAS Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline IUPAC Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline Traditional Name: 2-[(6-bromo-1,3-benzodioxol-5-yl)methyl]-3,4-dihydro-1H-isoquinoline Formula: C17H16BrNO2 MolecularWeight: 346.21844

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC2=CC=CC=C21)CC3=CC4=C(C=C3Br)OCO4

Isomeric SMILES

C1CN(CC2=CC=CC=C21)CC3=CC4=C(C=C3Br)OCO4

InChI

InChI=1S/C17H16BrNO2/c18-15-8-17-16(20-11-21-17)7-14(15)10-19-6-5-12-3-1-2-4-13(12)9-19/h1-4,7-8H,5-6,9-11H2