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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > piperazines > 2-[(5,5-dimethyl-6h-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperazines > 2-[(5,5-dimethyl-6h-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > piperazines > 2-[(5,5-dimethyl-6h-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperazines > 2-[(5,5-dimethyl-6h-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > piperazines > 2-[(5,5-dimethyl-6h-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone

Preferred term

2-[(5,5-dimethyl-6h-[1,2,4]triazolo[3,4-a]isoquinolin-3-yl)thio]-1-[4-(2-methoxyphenyl)-1-piperazinyl]ethanone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

Broader concept

charge

  • 0

formula

  • C25H29N5O2S

inchi

  • InChI=1S/C25H29N5O2S/c1-25(2)16-18-8-4-5-9-19(18)23-26-27-24(30(23)25)33-17-22(31)29-14-12-28(13-15-29)20-10-6-7-11-21(20)32-3/h4-11H,12-17H2,1-3H3

inchikey

  • QHRLIQVZSCVBLO-UHFFFAOYSA-N

mass

  • 463.597

monoisotopicmass

  • 463.20420

smiles

  • CC1(CC2=CC=CC=C2C3=NN=C(N31)SCC(=O)N4CCN(CC4)C5=CC=CC=C5OC)C

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:115547

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