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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 2-[[3-methyl-5-oxo-1-(phenylmethyl)-4h-pyrazol-4-yl]-phenylmethyl]propanedinitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 2-[[3-methyl-5-oxo-1-(phenylmethyl)-4h-pyrazol-4-yl]-phenylmethyl]propanedinitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 2-[[3-methyl-5-oxo-1-(phenylmethyl)-4h-pyrazol-4-yl]-phenylmethyl]propanedinitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > diazole > pyrazoles > 2-[[3-methyl-5-oxo-1-(phenylmethyl)-4h-pyrazol-4-yl]-phenylmethyl]propanedinitrile

Preferred term

2-[[3-methyl-5-oxo-1-(phenylmethyl)-4h-pyrazol-4-yl]-phenylmethyl]propanedinitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C21H18N4O

inchi

  • InChI=1S/C21H18N4O/c1-15-19(20(18(12-22)13-23)17-10-6-3-7-11-17)21(26)25(24-15)14-16-8-4-2-5-9-16/h2-11,18-20H,14H2,1H3

inchikey

  • ZIGSJELRQGYINN-UHFFFAOYSA-N

mass

  • 342.395

monoisotopicmass

  • 342.14806

smiles

  • CC1=NN(C(=O)C1C(C2=CC=CC=C2)C(C#N)C#N)CC3=CC=CC=C3

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:116514

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