Chem
J-GLOBAL ID：200907072922086487   Nikkaji number：J1.273.333J

(1S)-1α,3β-Dimethoxy-4α-bromo-1,2,3,4-tetrahydroisoquinoline-2-carbonitrile

(1S)-1α,3β-ジメトキシ-4α-ブロモ-1,2,3,4-テトラヒドロイソキノリン-2-カルボニトリル
Substance type：
Substance type
Substance type classified into 3 categories.
Decided structure: Substances with a clear structure
Undicided Structure: Substances with unknown or undetermined structure
Mixtures: Mixtures, racemic compounds, or compounds with relative structural arrangements
Decided structure
Molecular formula： C12H13BrN2O2
Molecular formula furigana： C12-H13-BR-N2-O2
Molecular weight： 297.152
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
InChI key： TVUQJHYIXUSAEN-WOPDTQHZSA-N
SMILES： CO[C@H]1[C@H](Br)c2ccccc2[C@H](OC)N1C#N
Systematic name  (3)：
  • (1S)-1α,3β-ジメトキシ-4α-ブロモ-1,2,3,4-テトラヒドロイソキノリン-2-カルボニトリル
  • (1S,3S,4R)-4-ブロモ-1,3-ジメトキシ-1,2,3,4-テトラヒドロイソキノリン-2-カルボニトリル
  • (1S,3S,4R)-4-bromo-1,3-dimethoxy-1,2,3,4-tetrahydroisoquinoline-2-carbonitrile
Other name (1)：
  • (1S)-1α,3β-Dimethoxy-4α-bromo-1,2,3,4-tetrahydroisoquinoline-2-carbonitrile
Thsaurus map：
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