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Substance Name: ACT-451840
RN: 1839508-99-4
UNII: FO890BDO84
InChIKey: BQZUYCCCNXOADJ-TVNMEPFQSA-N

Molecular Formula

  • C47-H54-N6-O3

Molecular Weight

  • 750.9826
 
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Names and Synonyms

Name of Substance

  • ACT-451840

Synonyms

  • (S,E)-N-(4-(4-Acetylpiperazin-1-yl)benzyl)-3-(4-(tert-butyl)phenyl)-N-(1-(4-(4-cyanobenzyl)piperazin-1-yl)-1-oxo-3-phenylpropan-2-yl)acrylamide
  • 2-Propenamide, N-((4-(4-acetyl-1-piperazinyl)phenyl)methyl)-N-((1S)-2-(4-((4-cyanophenyl)methyl)-1-piperazinyl)-2-oxo-1-(phenylmethyl)ethyl)-3-(4-(1,1-dimethylethyl)phenyl)-
  • ACT-451840
  • UNII-FO890BDO84

Registry Numbers

CAS Registry Number

  • 1839508-99-4

FDA UNII

  • FO890BDO84

System Generated Number

  • 1839508994

Structure Descriptors

InChI

1S/C47H54N6O3/c1-36(54)50-28-30-51(31-29-50)43-21-16-41(17-22-43)35-53(45(55)23-18-37-14-19-42(20-15-37)47(2,3)4)44(32-38-8-6-5-7-9-38)46(56)52-26-24-49(25-27-52)34-40-12-10-39(33-48)11-13-40/h5-23,44H,24-32,34-35H2,1-4H3/b23-18+/t44-/m0/s1

InChIKey

BQZUYCCCNXOADJ-TVNMEPFQSA-N

Smiles

CC(=O)N1CCN(CC1)c2ccc(CN([C@@H](Cc3ccccc3)C(=O)N4CCN(Cc5ccc(cc5)C#N)CC4)C(=O)\C=C\c6ccc(cc6)C(C)(C)C)cc2