2-(Phenylmethyl)-1,3,4(2H)-isoquinolinetrione

CAS Registry Number®

21640-35-7
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CAS Name

2-(Phenylmethyl)-1,3,4(2H)-isoquinolinetrione

Molecular Formula

C16H11NO3

Molecular Mass

265.26

Cite this Page

2-(Phenylmethyl)-1,3,4(2H)-isoquinolinetrione.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=21640-35-7 (retrieved 2024-09-02) (CAS RN: 21640-35-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    185-186 °C

Source(s)

  • (1) Denotes property values from the ZIC/VINITI data file provided by InfoChem.

Other Names and Identifiers

InChI

InChI=1S/C16H11NO3/c18-14-12-8-4-5-9-13(12)15(19)17(16(14)20)10-11-6-2-1-3-7-11/h1-9H,10H2

InChIKey

InChIKey=MCRWFXGWJMDFON-UHFFFAOYSA-N

SMILES

O=C1C=2C(C(=O)C(=O)N1CC3=CC=CC=C3)=CC=CC2

Canonical SMILES

O=C1C(=O)N(C(=O)C=2C=CC=CC12)CC=3C=CC=CC3

Other Names for this Substance

  • 1,3,4(2H)-Isoquinolinetrione, 2-(phenylmethyl)-
  • 1,3,4(2H)-Isoquinolinetrione, 2-benzyl-
  • 2-(Phenylmethyl)-1,3,4(2H)-isoquinolinetrione
  • 2-Benzyl-isoquinoline-1,3,4-trione
  • 2-Benzyl-1,2,3,4-tetrahydroisoquinoline-1,3,4-trione