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6-Amino-4-[4-(2-chloro-6-fluoro-benzyl)oxyphenyl]-3-(4-ethoxy-3-methoxy-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

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6-Amino-4-[4-(2-chloro-6-fluoro-benzyl)oxyphenyl]-3-(4-ethoxy-3-methoxy-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SpectraBase Compound ID 8qUG5u7HoYZ
InChI InChI=1S/C29H24ClFN4O4/c1-3-37-23-12-9-17(13-24(23)36-2)27-26-25(19(14-32)28(33)39-29(26)35-34-27)16-7-10-18(11-8-16)38-15-20-21(30)5-4-6-22(20)31/h4-13,25H,3,15,33H2,1-2H3,(H,34,35)
InChIKey SKXQTCKEGWTBHN-UHFFFAOYSA-N
Mol Weight 546.99 g/mol
Molecular Formula C29H24ClFN4O4
Exact Mass 546.147011 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5y9cEf808QN
Name 6-Amino-4-[4-(2-chloro-6-fluoro-benzyl)oxyphenyl]-3-(4-ethoxy-3-methoxy-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Alternate Name(s) 6-Amino-4-[4-[(2-chloro-6-fluoro-phenyl)methoxy]phenyl]-3-(4-ethoxy-3-methoxy-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 6-Azanyl-4-[4-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]phenyl]-3-(4-ethoxy-3-methoxy-phenyl)-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H24ClFN4O4
InChI InChI=1S/C29H24ClFN4O4/c1-3-37-23-12-9-17(13-24(23)36-2)27-26-25(19(14-32)28(33)39-29(26)35-34-27)16-7-10-18(11-8-16)38-15-20-21(30)5-4-6-22(20)31/h4-13,25H,3,15,33H2,1-2H3,(H,34,35)
InChIKey SKXQTCKEGWTBHN-UHFFFAOYSA-N
Molecular Weight 546.986 g/mol
SMILES NC1=C(C(c2c(O1)[nH]nc2-c1cc(OC)c(cc1)OCC)c1ccc(OCc2c(F)cccc2Cl)cc1)C#N
SPLASH splash10-00kf-5910000000-5feee6e112b96a4e7f17
Wiley ID 1461229