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1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-(4-cyanophenyl)pyrazolo[3,4-d][1,3]diazepine
SpectraBase Compound ID FIvp4xTMvKS
InChI InChI=1S/C23H19N5O2/c1-3-30-23(29)20-13-19-15(2)27-28(18-7-5-4-6-8-18)22(19)26-21(25-20)17-11-9-16(14-24)10-12-17/h4-13H,3H2,1-2H3,(H,25,26)
InChIKey CJJZGAWKEIBYFZ-UHFFFAOYSA-N
Mol Weight 397.44 g/mol
Molecular Formula C23H19N5O2
Exact Mass 397.153875 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3Y3gmuUyRSm
Name 1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-(4-cyanophenyl)pyrazolo[3,4-d][1,3]diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C23H19N5O2
InChI InChI=1S/C23H19N5O2/c1-3-30-23(29)20-13-19-15(2)27-28(18-7-5-4-6-8-18)22(19)26-21(25-20)17-11-9-16(14-24)10-12-17/h4-13H,3H2,1-2H3,(H,25,26)
InChIKey CJJZGAWKEIBYFZ-UHFFFAOYSA-N
Molecular Weight 397.438 g/mol
SMILES N1C(=Cc2c(N=C1c1ccc(C#N)cc1)[n](nc2C)-c1ccccc1)C(=O)OCC
SPLASH splash10-004i-9001000000-c142f16d1b44e134028f
Source of Spectrum J-58-5269-18
Synonyms Ethyl 7-(4-cyanophenyl)-3-methyl-1-phenyl-1,6-dihydropyrazolo[3,4-d][1,3]diazepine-5-carboxylate
Wiley ID 1368011