1,2,5,6,7,8-Hexahydro-3-hydroxy-6,6-dimethyl-1-oxo-4-isoquinolinecarbonitrile

CAS Registry Number®

890023-13-9
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CAS Name

1,2,5,6,7,8-Hexahydro-3-hydroxy-6,6-dimethyl-1-oxo-4-isoquinolinecarbonitrile

Molecular Formula

C12H14N2O2

Molecular Mass

218.25

Cite this Page

1,2,5,6,7,8-Hexahydro-3-hydroxy-6,6-dimethyl-1-oxo-4-isoquinolinecarbonitrile.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=890023-13-9 (retrieved 2024-08-18) (CAS RN: 890023-13-9).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C12H14N2O2/c1-12(2)4-3-7-8(5-12)9(6-13)11(16)14-10(7)15/h3-5H2,1-2H3,(H2,14,15,16)

InChIKey

InChIKey=HMAQVGUVSOKPSH-UHFFFAOYSA-N

SMILES

O=C1C2=C(C(C#N)=C(O)N1)CC(C)(C)CC2

Canonical SMILES

N#CC1=C(O)NC(=O)C2=C1CC(C)(C)CC2

Other Names for this Substance

  • 4-Isoquinolinecarbonitrile, 1,2,5,6,7,8-hexahydro-3-hydroxy-6,6-dimethyl-1-oxo-
  • 1,2,5,6,7,8-Hexahydro-3-hydroxy-6,6-dimethyl-1-oxo-4-isoquinolinecarbonitrile
  • 1,3-Dihydroxy-6,6-dimethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
  • 1-Hydroxy-6,6-dimethyl-3-oxo-2,5,7,8-tetrahydroisoquinoline-4-carbonitrile
  • 3-Hydroxy-6,6-dimethyl-1-oxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile