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Chemistry, part 1

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Concept information

organic aromatic compound > aromatic amine > lsm-21452
... > chemical entity > molecular entity > main group molecular entity > p-block molecular entity > carbon group molecular entity > organic molecular entity > organic amino compound > aromatic amine > lsm-21452
... > 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 > lsm-21452

Preferred term

lsm-21452  

Type

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

Broader concept

charge

  • 0

formula

  • C25H32FN3O3

inchi

  • InChI=1S/C25H32FN3O3/c1-5-8-19-11-21-24(27-12-19)32-23(17(2)13-29(25(21)31)18(3)16-30)15-28(4)14-20-9-6-7-10-22(20)26/h5-12,17-18,23,30H,13-16H2,1-4H3/t17-,18-,23+/m1/s1

inchikey

  • BFKPGMXAQGECHU-PNCHPQGNSA-N

mass

  • 441.539

monoisotopicmass

  • 441.24277

smiles

  • CC=CC1=CN=C2C(=C1)C(=O)N(C[C@H]([C@@H](O2)CN(C)CC3=CC=CC=C3F)C)[C@H](C)CO

subset

  • 2_STAR

In other languages

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:110025

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