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Chemistry, part 3

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Concept information

... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > halogen molecular entity > fluorine molecular entity > organofluorine compound > n-[[(2r,3r)-8-[2-(4-fluorophenyl)ethynyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-n-methylacetamide
... > chemical entity > molecular entity > polyatomic entity > heteroatomic molecular entity > halide > organohalogen compound > organofluorine compound > n-[[(2r,3r)-8-[2-(4-fluorophenyl)ethynyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-n-methylacetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > halogen molecular entity > halide > organohalogen compound > organofluorine compound > n-[[(2r,3r)-8-[2-(4-fluorophenyl)ethynyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-n-methylacetamide
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > heteroorganic entity > organohalogen compound > organofluorine compound > n-[[(2r,3r)-8-[2-(4-fluorophenyl)ethynyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-n-methylacetamide

Preferred term

n-[[(2r,3r)-8-[2-(4-fluorophenyl)ethynyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-6-oxo-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-2-yl]methyl]-n-methylacetamide  

Type

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

Broader concept

charge

  • 0

formula

  • C25H28FN3O4

inchi

  • InChI=1S/C25H28FN3O4/c1-16-13-29(17(2)15-30)25(32)22-11-20(6-5-19-7-9-21(26)10-8-19)12-27-24(22)33-23(16)14-28(4)18(3)31/h7-12,16-17,23,30H,13-15H2,1-4H3/t16-,17+,23+/m1/s1

inchikey

  • XVANEVHAXZLZTM-DGGJZMOXSA-N

mass

  • 453.507

monoisotopicmass

  • 453.20638

smiles

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:113889

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