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Substance Name: SYN 2836
RN: 210562-94-0
InChIKey: RKIFSGOQLRESME-JPZYQRIQSA-N

Classification Code

  • Antifungal

Molecular Formula

  • C32-H31-F5-N8-O2

Molecular Weight

  • 654.6409
 
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Names and Synonyms

Name of Substance

  • SYN 2836

Synonym

  • SYN-2836

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-(trifluoromethyl)phenyl)methyl)-

Registry Numbers

CAS Registry Number

  • 210562-94-0

System Generated Number

  • 0210562940

Structure Descriptors

InChI

1S/C32H31F5N8O2/c1-22(31(47,18-43-20-38-19-39-43)28-11-6-25(33)16-29(28)34)41-12-14-42(15-13-41)26-7-9-27(10-8-26)44-21-40-45(30(44)46)17-23-2-4-24(5-3-23)32(35,36)37/h2-11,16,19-22,47H,12-15,17-18H2,1H3/t22-,31-/m1/s1

InChIKey

RKIFSGOQLRESME-JPZYQRIQSA-N

Smiles

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