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5-Amino-3-(1-cyano-2-{4-[(4-fluorobenzyl)oxy]-3,5-dimethoxyphenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
SpectraBase Compound ID 7Kkn5ExcQ2L
InChI InChI=1S/C24H22FN5O4/c1-32-20-10-16(9-17(12-26)22-19(13-27)24(28)30(29-22)7-8-31)11-21(33-2)23(20)34-14-15-3-5-18(25)6-4-15/h3-6,9-11,31H,7-8,14,28H2,1-2H3/b17-9+
InChIKey VBAMRLOQHYBMEJ-RQZCQDPDSA-N
Mol Weight 463.47 g/mol
Molecular Formula C24H22FN5O4
Exact Mass 463.165582 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID IpJgUe8lYKf
Name 5-Amino-3-(1-cyano-2-{4-[(4-fluorobenzyl)oxy]-3,5-dimethoxyphenyl}ethenyl)-1-(2-hydroxyethyl)-1H-pyrazole-4-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H22FN5O4
InChI InChI=1S/C24H22FN5O4/c1-32-20-10-16(9-17(12-26)22-19(13-27)24(28)30(29-22)7-8-31)11-21(33-2)23(20)34-14-15-3-5-18(25)6-4-15/h3-6,9-11,31H,7-8,14,28H2,1-2H3/b17-9+
InChIKey VBAMRLOQHYBMEJ-RQZCQDPDSA-N
Molecular Weight 463.469 g/mol
SMILES Nc1[n](CCO)nc(c1C#N)\C(=C\c1cc(OC)c(c(c1)OC)OCc1ccc(cc1)F)C#N
SPLASH splash10-0a4i-6912000000-3b9abbedfff3040f6b8e
Synonyms 5-Amino-3-[(Z)-1-cyano-2-[4-(4-fluorobenzyl)oxy-3,5-dimethoxy-phenyl]vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile 5-Amino-3-[(Z)-1-cyano-2-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxy-phenyl]vinyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile 5-Amino-3-[(Z)-1-cyano-2-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]ethenyl]-1-(2-hydroxyethyl)-4-pyrazolecarbonitrile 5-Amino-3-[(Z)-1-cyano-2-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxyphenyl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile 5-Azanyl-3-[(Z)-1-cyano-2-[4-[(4-fluorophenyl)methoxy]-3,5-dimethoxy-phenyl]ethenyl]-1-(2-hydroxyethyl)pyrazole-4-carbonitrile
Wiley ID 1442593