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Chemistry, part 1

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > tertiary amino compound > l-778,123 (free base)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > tertiary amino compound > l-778,123 (free base)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > azole > diazole > imidazoles > l-778,123 (free base)
... > organic heterocyclic compound > organonitrogen heterocyclic compound > azole > diazole > imidazoles > l-778,123 (free base)
... > organic aromatic compound > heteroarene > monocyclic heteroarene > azole > diazole > imidazoles > l-778,123 (free base)
... > organic heterocyclic compound > heteroarene > monocyclic heteroarene > azole > diazole > imidazoles > l-778,123 (free base)
organochlorine compound > chlorobenzenes > monochlorobenzenes > l-778,123 (free base)
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > cyanides > nitrile > l-778,123 (free base)

Preferred term

l-778,123 (free base)  

Type

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

Broader concept

alt_id

  • CHEBI:47167

charge

  • 0

formula

  • C22H20ClN5O

has_role

inchi

  • InChI=1S/C22H20ClN5O/c23-19-2-1-3-20(10-19)28-9-8-26(15-22(28)29)14-21-12-25-16-27(21)13-18-6-4-17(11-24)5-7-18/h1-7,10,12,16H,8-9,13-15H2

inchikey

  • JNUGFGAVPBYSHF-UHFFFAOYSA-N

mass

  • 405.890

monoisotopicmass

  • 405.13564

smiles

  • ClC1=CC(=CC=C1)N1CCN(CC2=CN=CN2CC2=CC=C(C=C2)C#N)CC1=O

subset

  • 3_STAR

synonym EXACT

  • 4-[(5-{[4-(3-chlorophenyl)-3-oxopiperazin-1-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile

synonym RELATED

  • L-778,123 free base
  • L-778123 free base

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:180478

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