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1-Phenyl-3-methyl-5-(methoxycarbonyl)-6-[(4-fluorophenylamino)(4-fluorophenylimino)methyl]-7-methoxy)pyrazolo[3,4-d][1,3]diazepine

View entire compound with spectra: 1 MS (GC)

1-Phenyl-3-methyl-5-(methoxycarbonyl)-6-[(4-fluorophenylamino)(4-fluorophenylimino)methyl]-7-methoxy)pyrazolo[3,4-d][1,3]diazepine
SpectraBase Compound ID 5isi0vKPpr9
InChI InChI=1S/C29H24F2N6O3/c1-18-24-17-25(27(38)39-2)36(29(40-3)34-26(24)37(35-18)23-7-5-4-6-8-23)28(32-21-13-9-19(30)10-14-21)33-22-15-11-20(31)12-16-22/h4-17H,1-3H3,(H,32,33)
InChIKey TYMCFWFVVJMMSO-UHFFFAOYSA-N
Mol Weight 542.55 g/mol
Molecular Formula C29H24F2N6O3
Exact Mass 542.187795 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Cn3XaTuxUkp
Name 1-Phenyl-3-methyl-5-(methoxycarbonyl)-6-[(4-fluorophenylamino)(4-fluorophenylimino)methyl]-7-methoxy)pyrazolo[3,4-d][1,3]diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H24F2N6O3
InChI InChI=1S/C29H24F2N6O3/c1-18-24-17-25(27(38)39-2)36(29(40-3)34-26(24)37(35-18)23-7-5-4-6-8-23)28(32-21-13-9-19(30)10-14-21)33-22-15-11-20(31)12-16-22/h4-17H,1-3H3,(H,32,33)
InChIKey TYMCFWFVVJMMSO-UHFFFAOYSA-N
Molecular Weight 542.547 g/mol
SMILES N(C(N1C(=Nc2c(C=C1C(=O)OC)c(C)n[n]2-c1ccccc1)OC)=Nc1ccc(cc1)F)c1ccc(cc1)F
SPLASH splash10-0f6x-0070090000-16c90d44df5391d68b42
Source of Spectrum J-58-5270-21
Synonyms Methyl 6-{(Z)-(4-fluoroanilino)[(4-fluorophenyl)imino]methyl}-7-methoxy-3-methyl-1-phenyl-1,6-dihydropyrazolo[3,4-d][1,3]diazepine-5-carboxylate
Wiley ID 1404834