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Chemistry, part 1

Content language

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Concept information

organic aromatic compound > aromatic amine > (2r,3r)-8-[3-(dimethylamino)prop-1-ynyl]-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-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)-8-[3-(dimethylamino)prop-1-ynyl]-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-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)-8-[3-(dimethylamino)prop-1-ynyl]-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-3,4-dihydro-2h-pyrido[2,3-b][1,5]oxazocin-6-one

Preferred term

(2r,3r)-8-[3-(dimethylamino)prop-1-ynyl]-2-[[(3-fluorophenyl)methyl-methylamino]methyl]-5-[(2r)-1-hydroxypropan-2-yl]-3-methyl-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

  • C27H35FN4O3

inchi

  • InChI=1S/C27H35FN4O3/c1-19-15-32(20(2)18-33)27(34)24-13-21(9-7-11-30(3)4)14-29-26(24)35-25(19)17-31(5)16-22-8-6-10-23(28)12-22/h6,8,10,12-14,19-20,25,33H,11,15-18H2,1-5H3/t19-,20-,25+/m1/s1

inchikey

  • UOHQMYXKCBJNRU-FHAGJXEFSA-N

mass

  • 482.591

monoisotopicmass

  • 482.26932

smiles

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

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:127358

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