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

Systemtic Name: 5-[(5-bromanyl-1,3-benzodioxol-4-yl)methyl]isoquinoline Openeye Name: 5-[(5-bromo-1,3-benzodioxol-4-yl)methyl]isoquinoline CAS Name: 5-[(5-bromo-1,3-benzodioxol-4-yl)methyl]isoquinoline IUPAC Name: 5-[(5-bromo-1,3-benzodioxol-4-yl)methyl]isoquinoline Traditional Name: 5-[(5-bromo-1,3-benzodioxol-4-yl)methyl]isoquinoline Formula: C17H12BrNO2 MolecularWeight: 342.18668

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C(=C(C=C2)Br)CC3=CC=CC4=C3C=CN=C4

Isomeric SMILES

C1OC2=C(O1)C(=C(C=C2)Br)CC3=CC=CC4=C3C=CN=C4

InChI

InChI=1S/C17H12BrNO2/c18-15-4-5-16-17(21-10-20-16)14(15)8-11-2-1-3-12-9-19-7-6-13(11)12/h1-7,9H,8,10H2