Chem
J-GLOBAL ID：200907036140229924   Nikkaji number：J487.561C

(4aS)-2,6,7-Trimethyl-4aα-cyano-4a,5,8,8aβ-tetrahydroisoquinoline-1(2H)-one

1,2,8,8aβ-テトラヒドロ-2,6,7-トリメチル-1-オキソイソキノリン-4aα(5H)-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： C13H16N2O
Molecular formula furigana： C13-H16-N2-O
Molecular weight： 216.284
InChI： InChI=1S/C13H16N2O/c1-9-6-11-12(16)15(3)5-4-13(11,8-14)7-10(9)2/h4-5,11H,6-7H2,1-3H3/t11-,13+/m1/s1
InChI key： BYIIVACZFOZZGD-YPMHNXCESA-N
SMILES： CN1C=C[C@]2(CC(=C(C)C[C@@H]2C1=O)C)C#N
Systematic name  (6)：
  • 1,2,8,8aβ-テトラヒドロ-2,6,7-トリメチル-1-オキソイソキノリン-4aα(5H)-カルボニトリル
  • 1-オキソ-2,6,7-トリメチル-1,2,4a,5,8,8aβ-ヘキサヒドロイソキノリン-4aα-カルボニトリル
  • (4aS)-1-オキソ-2,6,7-トリメチル-1,2,4a,5,8,8aβ-ヘキサヒドロイソキノリン-4aα-カルボニトリル
  • (4aS)-2,6,7-トリメチル-4aα-シアノ-4a,5,8,8aβ-テトラヒドロイソキノリン-1(2H)-オン
  • (4aS,8aS)-2,6,7-トリメチル-1-オキソ-1,2,4a,5,8,8a-ヘキサヒドロイソキノリン-4a-カルボニトリル
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Other name (4)：
  • 1,2,8,8aβ-Tetrahydro-2,6,7-trimethyl-1-oxoisoquinoline-4aα(5H)-carbonitrile
  • 1-Oxo-2,6,7-trimethyl-1,2,4a,5,8,8aβ-hexahydroisoquinoline-4aα-carbonitrile
  • (4aS)-1-Oxo-2,6,7-trimethyl-1,2,4a,5,8,8aβ-hexahydroisoquinoline-4aα-carbonitrile
  • (4aS)-2,6,7-Trimethyl-4aα-cyano-4a,5,8,8aβ-tetrahydroisoquinoline-1(2H)-one
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