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Substance Name: Syn 2869
RN: 210562-98-4
InChIKey: HEAOYZUDBIUSJN-JPZYQRIQSA-N

Classification Code

  • Antifungal

Molecular Formula

  • C32-H31-F5-N8-O3

Molecular Weight

  • 670.6399
 
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Names and Synonyms

Name of Substance

  • SYN 2869

Synonyms

  • 2-(2,4-difluorophenyl)-3-(4-(4-(2-(4-trifluoromethoxybenzyl)-2H-1,2,4-triazol-3-one-4-yl)phenyl)piperazin-1-yl)-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
  • SYN 2869

Systematic Name

  • 3H-1,2,4-Triazol-3-one, 4-(4-(4-((1R,2R)-2-(2,4-difluorophenyl)-2-hydroxy-1-methyl-3-(1H-1,2,4-triazol-1-yl)propyl)-1-piperazinyl)phenyl)-2,4-dihydro-2-((4-(trifluoromethoxy)phenyl)methyl)-

Registry Numbers

CAS Registry Number

  • 210562-98-4

System Generated Number

  • 0210562984

Structure Descriptors

InChI

1S/C32H31F5N8O3/c1-22(31(47,18-43-20-38-19-39-43)28-11-4-24(33)16-29(28)34)41-12-14-42(15-13-41)25-5-7-26(8-6-25)44-21-40-45(30(44)46)17-23-2-9-27(10-3-23)48-32(35,36)37/h2-11,16,19-22,47H,12-15,17-18H2,1H3/t22-,31-/m1/s1

InChIKey

HEAOYZUDBIUSJN-JPZYQRIQSA-N

Smiles

C[C@H]([C@](Cn1cncn1)(c2ccc(cc2F)F)O)N3CCN(CC3)c4ccc(cc4)n5cnn(c5=O)Cc6ccc(cc6)OC(F)(F)F