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1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[(4-methoxyphenyl)amino]pyrazolo[3,4-d][1,3]diazepine
SpectraBase Compound ID 6znHlf68eN8
InChI InChI=1S/C23H23N5O3/c1-4-31-22(29)20-14-19-15(2)27-28(17-8-6-5-7-9-17)21(19)26-23(25-20)24-16-10-12-18(30-3)13-11-16/h5-14H,4H2,1-3H3,(H2,24,25,26)
InChIKey JCQFJUHUEMCLKI-UHFFFAOYSA-N
Mol Weight 417.47 g/mol
Molecular Formula C23H23N5O3
Exact Mass 417.18009 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 6jvgU5sWswx
Name 1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[(4-methoxyphenyl)amino]pyrazolo[3,4-d][1,3]diazepine
Comments Less than 3 mono-isotopic peaks
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Formula C23H23N5O3
InChI InChI=1S/C23H23N5O3/c1-4-31-22(29)20-14-19-15(2)27-28(17-8-6-5-7-9-17)21(19)26-23(25-20)24-16-10-12-18(30-3)13-11-16/h5-14H,4H2,1-3H3,(H2,24,25,26)
InChIKey JCQFJUHUEMCLKI-UHFFFAOYSA-N
Molecular Weight 417.469 g/mol
SMILES N1C(=Cc2c(N=C1Nc1ccc(cc1)OC)[n](nc2C)-c1ccccc1)C(=O)OCC
SPLASH splash10-014i-0002900000-bfbd4bc42b41264a1b41
Source of Spectrum J-58-5268-3
Synonyms ethyl 7-(4-methoxyanilino)-3-methyl-1-phenyl-1,6-dihydropyrazolo[3,4-d][1,3]diazepine-5-carboxylate
Wiley ID 1376838