2-Ethylbutyl α-cyano-3-(4-methyl-1-piperazinyl)-2-quinoxalineacetate

CAS Registry Number®

843620-41-7
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CAS Name

2-Ethylbutyl α-cyano-3-(4-methyl-1-piperazinyl)-2-quinoxalineacetate

Molecular Formula

C22H29N5O2

Molecular Mass

395.50

Cite this Page

2-Ethylbutyl α-cyano-3-(4-methyl-1-piperazinyl)-2-quinoxalineacetate.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=843620-41-7 (retrieved 2024-08-19) (CAS RN: 843620-41-7).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Other Names and Identifiers

InChI

InChI=1S/C22H29N5O2/c1-4-16(5-2)15-29-22(28)17(14-23)20-21(27-12-10-26(3)11-13-27)25-19-9-7-6-8-18(19)24-20/h6-9,16-17H,4-5,10-13,15H2,1-3H3

InChIKey

InChIKey=KXLHOFKVMZEIQW-UHFFFAOYSA-N

SMILES

C(C(OCC(CC)CC)=O)(C#N)C=1C(=NC2=C(N1)C=CC=C2)N3CCN(C)CC3

Canonical SMILES

N#CC(C(=O)OCC(CC)CC)C1=NC=2C=CC=CC2N=C1N3CCN(C)CC3

Other Names for this Substance

  • 2-Quinoxalineacetic acid, α-cyano-3-(4-methyl-1-piperazinyl)-, 2-ethylbutyl ester
  • 2-Ethylbutyl α-cyano-3-(4-methyl-1-piperazinyl)-2-quinoxalineacetate
  • 2-Ethylbutyl 2-cyano-2-(3-(4-methylpiperazin-1-yl)quinoxalin-2-yl)acetate