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Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organofluorine compound > (trifluoromethyl)benzenes > 1-[2-(4-methoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4h-triazolo[4,5-c]pyridine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 1-[2-(4-methoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4h-triazolo[4,5-c]pyridine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 1-[2-(4-methoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4h-triazolo[4,5-c]pyridine
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 1-[2-(4-methoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4h-triazolo[4,5-c]pyridine
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > 1-[2-(4-methoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4h-triazolo[4,5-c]pyridine

Preferred term

1-[2-(4-methoxyphenyl)ethyl]-5-[4-(trifluoromethyl)phenyl]-6,7-dihydro-4h-triazolo[4,5-c]pyridine  

Type

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

charge

  • 0

formula

  • C21H21F3N4O

inchi

  • InChI=1S/C21H21F3N4O/c1-29-18-8-2-15(3-9-18)10-13-28-20-11-12-27(14-19(20)25-26-28)17-6-4-16(5-7-17)21(22,23)24/h2-9H,10-14H2,1H3

inchikey

  • ZGCXDGBPYIWHPW-UHFFFAOYSA-N

mass

  • 402.421

monoisotopicmass

  • 402.16675

smiles

  • COC1=CC=C(C=C1)CCN2N=NC=3CN(CCC32)C4=CC=C(C=C4)C(F)(F)F

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:149940

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