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1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[(4-methylphenyl)amino]pyrazolo[3,4-d][1,3]diazepine
SpectraBase Compound ID ITa4v8qoyqa
InChI InChI=1S/C23H23N5O2/c1-4-30-22(29)20-14-19-16(3)27-28(18-8-6-5-7-9-18)21(19)26-23(25-20)24-17-12-10-15(2)11-13-17/h5-14H,4H2,1-3H3,(H2,24,25,26)
InChIKey HILHXNOEYUPCCT-UHFFFAOYSA-N
Mol Weight 401.47 g/mol
Molecular Formula C23H23N5O2
Exact Mass 401.185175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Lb9cWNjIG2b
Name 1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[(4-methylphenyl)amino]pyrazolo[3,4-d][1,3]diazepine
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H23N5O2
InChI InChI=1S/C23H23N5O2/c1-4-30-22(29)20-14-19-16(3)27-28(18-8-6-5-7-9-18)21(19)26-23(25-20)24-17-12-10-15(2)11-13-17/h5-14H,4H2,1-3H3,(H2,24,25,26)
InChIKey HILHXNOEYUPCCT-UHFFFAOYSA-N
Molecular Weight 401.470 g/mol
SMILES N1C(=Cc2c(N=C1Nc1ccc(cc1)C)[n](nc2C)-c1ccccc1)C(=O)OCC
SPLASH splash10-0ufr-0005900000-37f30db9f34cfc114070
Source of Spectrum J-58-5268-3
Synonyms ethyl 3-methyl-1-phenyl-7-(4-toluidino)-1,6-dihydropyrazolo[3,4-d][1,3]diazepine-5-carboxylate
Wiley ID 1370007