skip to main content

Chemistry, part 2

Content language

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

Concept information

... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organofluorine compound > (trifluoromethyl)benzenes > (2s,3s)-9-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > (2s,3s)-9-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > (2s,3s)-9-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > organic aromatic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > (2s,3s)-9-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > cyclic compound > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > (2s,3s)-9-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > (2s,3s)-9-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic cyclic compound > carbocyclic compound > benzenoid aromatic compound > benzenes > (trifluoromethyl)benzenes > (2s,3s)-9-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one

Preferred term

(2s,3s)-9-(dimethylamino)-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-2-[[methyl-[[4-(trifluoromethyl)phenyl]methyl]amino]methyl]-2,3,4,7-tetrahydro-1,5-benzoxazonin-6-one  

Type

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

Broader concept

charge

  • 0

formula

  • C27H36F3N3O3

inchi

  • InChI=1S/C27H36F3N3O3/c1-18-14-33(19(2)17-34)26(35)13-21-12-23(31(3)4)10-11-24(21)36-25(18)16-32(5)15-20-6-8-22(9-7-20)27(28,29)30/h6-12,18-19,25,34H,13-17H2,1-5H3/t18-,19+,25+/m0/s1

inchikey

  • RAYQZOVLGJUDGR-OSWQYVSFSA-N

mass

  • 507.589

monoisotopicmass

  • 507.27088

smiles

  • C[C@H]1CN(C(=O)CC2=C(C=CC(=C2)N(C)C)O[C@@H]1CN(C)CC3=CC=C(C=C3)C(F)(F)F)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:113733

Download this concept:

RDF/XML TURTLE JSON-LD