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5-Amino-3-[1-cyano-2-[3-(4-fluoro-phenyl)-1H-pyrazol-4-yl]-vinyl]-1-phenyl-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID 5sz27ZXy3m4
InChI InChI=1S/C22H14FN7/c23-17-8-6-14(7-9-17)20-16(13-27-28-20)10-15(11-24)21-19(12-25)22(26)30(29-21)18-4-2-1-3-5-18/h1-10,13H,26H2,(H,27,28)/b15-10+
InChIKey XIMBJGAKOKVNAR-XNTDXEJSSA-N
Mol Weight 395.4 g/mol
Molecular Formula C22H14FN7
Exact Mass 395.129472 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 64Mi8qeXlDf
Name 5-Amino-3-[1-cyano-2-[3-(4-fluoro-phenyl)-1H-pyrazol-4-yl]-vinyl]-1-phenyl-1H-pyrazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H14FN7
InChI InChI=1S/C22H14FN7/c23-17-8-6-14(7-9-17)20-16(13-27-28-20)10-15(11-24)21-19(12-25)22(26)30(29-21)18-4-2-1-3-5-18/h1-10,13H,26H2,(H,27,28)/b15-10+
InChIKey XIMBJGAKOKVNAR-XNTDXEJSSA-N
Molecular Weight 395.401 g/mol
SMILES [nH]1nc(c(\C=C\(c2n[n](c(c2C#N)N)-c2ccccc2)C#N)c1)-c1ccc(cc1)F
SPLASH splash10-0002-1329000000-9a386c5aa915f1c4fb22
Synonyms 5-Amino-3-{(Z)-1-cyano-2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile 5-Amino-3-{1-cyano-2-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]ethenyl}-1-phenyl-1H-pyrazole-4-carbonitrile
Wiley ID 1462736