skip to main content

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

Preferred term

CT3  

Type

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

charge

  • 0

formula

  • C19H12F4N6O

inchi

  • InChI=1S/C19H12F4N6O/c20-14-4-15(18(25-6-14)19(21,22)23)11-1-2-12-7-28(8-13(12)3-11)17(30)9-29-10-26-16(5-24)27-29/h1-4,6,10H,7-9H2

inchikey

  • JDTWUDDOSHJEIZ-UHFFFAOYSA-N

mass

  • 416.340

monoisotopicmass

  • 416.10087

smiles

  • FC1=CN=C(C(=C1)C1=CC2=C(CN(C2)C(=O)CN2C=NC(=N2)C#N)C=C1)C(F)(F)F

subset

  • 3_STAR

synonym EXACT

  • 1-(2-{5-[5-fluoro-2-(trifluoromethyl)pyridin-3-yl]-1,3-dihydro-2H-isoindol-2-yl}-2-oxoethyl)-1H-1,2,4-triazole-3-carbonitrile

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:231816

Download this concept: