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6-(4-((2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)-1,4-diazepan-1-yl)pyridine-3-carbonitrile

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6-(4-((2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)-1,4-diazepan-1-yl)pyridine-3-carbonitrile
SpectraBase Compound ID 7roBiT7o7eX
InChI InChI=1S/C23H25F2N7O/c1-17(30-7-2-8-31(10-9-30)22-6-3-18(12-26)13-28-22)23(33,14-32-16-27-15-29-32)20-5-4-19(24)11-21(20)25/h3-6,11,13,15-17,33H,2,7-10,14H2,1H3/t17-,23-/m1/s1
InChIKey SETNUWIKVKSZOH-UZUQRXQVSA-N
Mol Weight 453.5 g/mol
Molecular Formula C23H25F2N7O
Exact Mass 453.208865 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3IUXj0FrMYr
Name 6-(4-((2R,3R)-3-(2,4-difluorophenyl)-3-hydroxy-4-(1H-1,2,4-triazol-1-yl)butan-2-yl)-1,4-diazepan-1-yl)pyridine-3-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H25F2N7O
InChI InChI=1S/C23H25F2N7O/c1-17(30-7-2-8-31(10-9-30)22-6-3-18(12-26)13-28-22)23(33,14-32-16-27-15-29-32)20-5-4-19(24)11-21(20)25/h3-6,11,13,15-17,33H,2,7-10,14H2,1H3/t17-,23-/m1/s1
InChIKey SETNUWIKVKSZOH-UZUQRXQVSA-N
Ionization Type EI
Molecular Weight 453.498 g/mol
SMILES O[C@@](c1ccc(cc1F)F)([C@](N1CCCN(CC1)c1ccc(cn1)C#N)(C)[H])C[n]1ncnc1
SPLASH splash10-004i-0190000000-9f682146771891f88f8e
Source of Spectrum US20100144712A1
Wiley ID 1842383