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1-Benzyl-2-phenyl-6-(4'-bromophenyl)-4-(4'-nitrophenyl)-2,3-dihydropyrazolo[3,4-b][1,4]diazepine
SpectraBase Compound ID AtL9AKyhb34
InChI InChI=1S/C31H24BrN5O2/c32-26-13-11-24(12-14-26)25-19-33-31-30(34(21-25)27-15-17-29(18-16-27)37(38)39)22-35(28-9-5-2-6-10-28)36(31)20-23-7-3-1-4-8-23/h1-19,21H,20,22H2
InChIKey IPKSMTPUVPUPJS-UHFFFAOYSA-N
Mol Weight 578.47 g/mol
Molecular Formula C31H24BrN5O2
Exact Mass 577.111338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3CW8dCrnV9G
Name 1-Benzyl-2-phenyl-6-(4'-bromophenyl)-4-(4'-nitrophenyl)-2,3-dihydropyrazolo[3,4-b][1,4]diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C31H24BrN5O2
InChI InChI=1S/C31H24BrN5O2/c32-26-13-11-24(12-14-26)25-19-33-31-30(34(21-25)27-15-17-29(18-16-27)37(38)39)22-35(28-9-5-2-6-10-28)36(31)20-23-7-3-1-4-8-23/h1-19,21H,20,22H2
InChIKey IPKSMTPUVPUPJS-UHFFFAOYSA-N
Molecular Weight 578.470 g/mol
SMILES C12=C(N(Cc3ccccc3)N(C1)c1ccccc1)N=CC(=CN2c1ccc(N(=O)=O)cc1)c1ccc(cc1)Br
SPLASH splash10-004i-0000290000-f3e290a03070f273e2fa
Source of Spectrum Y-34-1133-3
Synonyms 1-Benzyl-6-(4-bromophenyl)-4-(4-nitrophenyl)-2-phenyl-1,2,3,4-tetrahydropyrazolo[3,4-b][1,4]diazepine
Wiley ID 1408293