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1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[(4-fluorophenyl)amino]pyrazolo[3,4-d][1,3]diazepine
SpectraBase Compound ID 4NBPq6U6aE9
InChI InChI=1S/C22H20FN5O2/c1-3-30-21(29)19-13-18-14(2)27-28(17-7-5-4-6-8-17)20(18)26-22(25-19)24-16-11-9-15(23)10-12-16/h4-13H,3H2,1-2H3,(H2,24,25,26)
InChIKey SFGYWDBYFVCHHF-UHFFFAOYSA-N
Mol Weight 405.43 g/mol
Molecular Formula C22H20FN5O2
Exact Mass 405.160103 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JyqggSZL5G0
Name 1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[(4-fluorophenyl)amino]pyrazolo[3,4-d][1,3]diazepine
Alternate Name(s) Ethyl 7-(4-fluoroanilino)-3-methyl-1-phenyl-1,6-dihydropyrazolo[3,4-d][1,3]diazepine-5-carboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H20FN5O2
InChI InChI=1S/C22H20FN5O2/c1-3-30-21(29)19-13-18-14(2)27-28(17-7-5-4-6-8-17)20(18)26-22(25-19)24-16-11-9-15(23)10-12-16/h4-13H,3H2,1-2H3,(H2,24,25,26)
InChIKey SFGYWDBYFVCHHF-UHFFFAOYSA-N
Molecular Weight 405.433 g/mol
SMILES N1C(=Cc2c(N=C1Nc1ccc(cc1)F)[n](nc2C)-c1ccccc1)C(=O)OCC
SPLASH splash10-0059-9006300000-dac0b95c50eb42d33ae2
Source of Spectrum J-58-5268-3
Wiley ID 1371744