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Chemistry, part 1

Content language

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Concept information

organooxygen compound > ester > carboxylic ester > carbamate ester > tarocin a2
organooxygen compound > carbonyl compound > carboxylic ester > carbamate ester > tarocin a2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > secondary amide > imide > dicarboximide > tarocin a2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > amide > primary amide > ureas > n-acylurea > tarocin a2
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organonitrogen heterocyclic compound > isoquinolines > tarocin a2
organic heterocyclic compound > organonitrogen heterocyclic compound > isoquinolines > tarocin a2
organic heterocyclic compound > organic heteropolycyclic compound > isoquinolines > tarocin a2

Preferred term

tarocin a2  

Type

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

Broader concept

charge

  • 0

formula

  • C22H18F3N3O3

has_functional_parent

has_role

inchi

  • InChI=1S/C22H18F3N3O3/c1-13-19(14-6-4-7-17(9-14)22(23,24)25)31-21(30)28(13)20(29)27-12-16-11-26-10-15-5-2-3-8-18(15)16/h2-11,13,19H,12H2,1H3,(H,27,29)/t13-,19-/m0/s1

inchikey

  • HDCFKIPEUIIJHB-DJJJIMSYSA-N

mass

  • 429.393

monoisotopicmass

  • 429.13003

smiles

  • N1(C(O[C@@H]([C@@H]1C)C2=CC(=CC=C2)C(F)(F)F)=O)C(=O)NCC=3C4=C(C=NC3)C=CC=C4

subset

  • 3_STAR

synonym EXACT

  • (4S,5R)-N-[(isoquinolin-4-yl)methyl]-4-methyl-2-oxo-5-[3-(trifluoromethyl)phenyl]-1,3-oxazolidine-3-carboxamide

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:131615

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