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Chemistry, part 1

Content language

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Concept information

organic aromatic compound > aromatic amine > (2r,3r)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-6-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > (2r,3r)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-6-one
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > pnictogen molecular entity > nitrogen molecular entity > organonitrogen compound > organic amino compound > aromatic amine > (2r,3r)-2-[[(4-fluorophenyl)methyl-methylamino]methyl]-5-[(2s)-1-hydroxypropan-2-yl]-3-methyl-8-[2-(3-pyridinyl)ethynyl]-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-6-one

Preferred term

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

Type

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

Broader concept

charge

  • 0

formula

  • C29H31FN4O3

inchi

  • InChI=1S/C29H31FN4O3/c1-20-16-34(21(2)19-35)29(36)26-13-24(7-6-22-5-4-12-31-14-22)15-32-28(26)37-27(20)18-33(3)17-23-8-10-25(30)11-9-23/h4-5,8-15,20-21,27,35H,16-19H2,1-3H3/t20-,21+,27+/m1/s1

inchikey

  • XTWZIVUPDNYJMX-BUEREQSYSA-N

mass

  • 502.581

monoisotopicmass

  • 502.23802

smiles

  • C[C@@H]1CN(C(=O)C2=C(N=CC(=C2)C#CC3=CN=CC=C3)O[C@H]1CN(C)CC4=CC=C(C=C4)F)[C@@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:103703

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