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Chemistry, part 1

Content language

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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 > cyanides > nitrile > anastrozole
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > azole > triazoles > anastrozole
organic heterocyclic compound > organonitrogen heterocyclic compound > azole > triazoles > anastrozole
... > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > triazoles > anastrozole
... > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > triazoles > anastrozole

Preferred term

anastrozole  

Type

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

Broader concept

charge

  • 0

formula

  • C17H19N5

has_role

inchi

  • InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3

inchikey

  • YBBLVLTVTVSKRW-UHFFFAOYSA-N

mass

  • 293.36630

monoisotopicmass

  • 293.16405

smiles

  • CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N

subset

  • 3_STAR

synonym EXACT

  • 2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]bis(2-methylpropanenitrile)

synonym RELATED

  • alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile
  • Anastrozol
  • anastrozole

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:2704

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