(1S,3S,4R)-4-bromanyl-1,3-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonitrile

Systemtic Name: (1S,3S,4R)-4-bromanyl-1,3-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonitrile Openeye Name: (1S,3S,4R)-4-bromo-1,3-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonitrile CAS Name: (1S,3S,4R)-4-bromo-1,3-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonitrile IUPAC Name: (1S,3S,4R)-4-bromo-1,3-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonitrile Traditional Name: (1S,3S,4R)-4-bromo-1,3-dimethoxy-3,4-dihydro-1H-isoquinoline-2-carbonitrile Formula: C12H13BrN2O2 MolecularWeight: 297.14782

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Descriptors Computed from Structure

Canonical SMILES:

COC1C(C2=CC=CC=C2C(N1C#N)OC)Br

Isomeric SMILES

CO[C@H]1[C@@H](C2=CC=CC=C2[C@@H](N1C#N)OC)Br

InChI

InChI=1S/C12H13BrN2O2/c1-16-11-9-6-4-3-5-8(9)10(13)12(17-2)15(11)7-14/h3-6,10-12H,1-2H3/t10-,11+,12+/m1/s1