skip to main content

Chemistry, part 1

Content language

Contact us: CRM@email.irandoc.ac.ir

Concept information

organofluorine compound > ro4929097
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > dicarboxylic acid amide > dicarboxylic acid diamide > ro4929097
organooxygen compound > carboxamide > dicarboxylic acid amide > dicarboxylic acid diamide > ro4929097
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > dicarboxylic acid amide > dicarboxylic acid diamide > ro4929097
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > carboxamide > lactam > ro4929097
organooxygen compound > carboxamide > lactam > ro4929097
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > carboxamide > lactam > ro4929097
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > lactam > ro4929097
organic heterocyclic compound > organonitrogen heterocyclic compound > lactam > ro4929097
organic heterocyclic compound > organic heteropolycyclic compound > organic heterotricyclic compound > dibenzoazepine > ro4929097
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > dibenzoazepine > ro4929097
organic heterocyclic compound > organonitrogen heterocyclic compound > dibenzoazepine > ro4929097

Preferred term

ro4929097  

Type

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

Broader concept

charge

  • 0

formula

  • C22H20F5N3O3

has_role

inchi

  • InChI=1S/C22H20F5N3O3/c1-20(2,18(32)28-11-21(23,24)22(25,26)27)19(33)30-16-14-9-4-3-7-12(14)13-8-5-6-10-15(13)29-17(16)31/h3-10,16H,11H2,1-2H3,(H,28,32)(H,29,31)(H,30,33)/t16-/m0/s1

inchikey

  • OJPLJFIFUQPSJR-INIZCTEOSA-N

mass

  • 469.40450

monoisotopicmass

  • 469.14248

smiles

  • CC(C)(C(=O)NCC(F)(F)C(F)(F)F)C(=O)N[C@H]1c2ccccc2-c2ccccc2NC1=O

subset

  • 3_STAR

synonym EXACT

  • 2,2-dimethyl-N(1)-[(7S)-6-oxo-6,7-dihydro-5H-dibenzo[b,d]azepin-7-yl]-N(3)-(2,2,3,3,3-pentafluoropropyl)propanediamide

synonym RELATED

  • Ro 4929097
  • RO-4929097

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:86474

Download this concept:

RDF/XML TURTLE JSON-LD