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Concept information

... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > diazepine > 7-(2-chloro-6-fluorophenyl)-5-methyl-6,7-dihydro-1h-1,4-diazepine-2,3-dicarbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organonitrogen heterocyclic compound > diazepine > 7-(2-chloro-6-fluorophenyl)-5-methyl-6,7-dihydro-1h-1,4-diazepine-2,3-dicarbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > diazepine > 7-(2-chloro-6-fluorophenyl)-5-methyl-6,7-dihydro-1h-1,4-diazepine-2,3-dicarbonitrile
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic heterocyclic compound > organic heteromonocyclic compound > diazepine > 7-(2-chloro-6-fluorophenyl)-5-methyl-6,7-dihydro-1h-1,4-diazepine-2,3-dicarbonitrile

Preferred term

7-(2-chloro-6-fluorophenyl)-5-methyl-6,7-dihydro-1h-1,4-diazepine-2,3-dicarbonitrile  

Type

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

Broader concept

charge

  • 0

formula

  • C14H10ClFN4

inchi

  • InChI=1S/C14H10ClFN4/c1-8-5-11(14-9(15)3-2-4-10(14)16)20-13(7-18)12(6-17)19-8/h2-4,11,20H,5H2,1H3

inchikey

  • JTHRQQGJOBUXAL-UHFFFAOYSA-N

mass

  • 288.708

monoisotopicmass

  • 288.05780

smiles

  • CC1=NC(=C(NC(C1)C2=C(C=CC=C2Cl)F)C#N)C#N

subset

  • 2_STAR

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:116221

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