(4aS,8aS)-2-Benzoyl-1,3,4,4a,5,8a-hexahydro-6(2H)-isoquinolinone

CAS Registry Number®

52346-14-2
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CAS Name

(4aS,8aS)-2-Benzoyl-1,3,4,4a,5,8a-hexahydro-6(2H)-isoquinolinone

Molecular Formula

C16H17NO2

Molecular Mass

255.31

Cite this Page

(4aS,8aS)-2-Benzoyl-1,3,4,4a,5,8a-hexahydro-6(2H)-isoquinolinone.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=52346-14-2 (retrieved 2024-09-07) (CAS RN: 52346-14-2).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C16H17NO2/c18-15-7-6-14-11-17(9-8-13(14)10-15)16(19)12-4-2-1-3-5-12/h1-7,13-14H,8-11H2/t13-,14-/m0/s1

InChIKey

InChIKey=KIGUODXTRRRCCD-KBPBESRZSA-N

SMILES

C(=O)(N1C[C@]2([C@@](CC1)(CC(=O)C=C2)[H])[H])C3=CC=CC=C3

Canonical SMILES

O=C1C=CC2CN(C(=O)C=3C=CC=CC3)CCC2C1

Other Names for this Substance

  • 6(2H)-Isoquinolinone, 2-benzoyl-1,3,4,4a,5,8a-hexahydro-, (4aS,8aS)-
  • 6(2H)-Isoquinolinone, 2-benzoyl-1,3,4,4a,5,8a-hexahydro-, (4aS-cis)-
  • (4aS,8aS)-2-Benzoyl-1,3,4,4a,5,8a-hexahydro-6(2H)-isoquinolinone