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1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[2-(phenylvinyl)amino]pyrazolo[3,4-d][1,3]diazepine
SpectraBase Compound ID A5Kt59vpcIE
InChI InChI=1S/C24H23N5O2/c1-3-31-23(30)21-16-20-17(2)28-29(19-12-8-5-9-13-19)22(20)27-24(26-21)25-15-14-18-10-6-4-7-11-18/h4-16H,3H2,1-2H3,(H2,25,26,27)/b15-14+
InChIKey BUDQLBRVQWQRST-CCEZHUSRSA-N
Mol Weight 413.48 g/mol
Molecular Formula C24H23N5O2
Exact Mass 413.185175 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5MFbiQYGytk
Name 1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[2-(phenylvinyl)amino]pyrazolo[3,4-d][1,3]diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C24H23N5O2
InChI InChI=1S/C24H23N5O2/c1-3-31-23(30)21-16-20-17(2)28-29(19-12-8-5-9-13-19)22(20)27-24(26-21)25-15-14-18-10-6-4-7-11-18/h4-16H,3H2,1-2H3,(H2,25,26,27)/b15-14+
InChIKey BUDQLBRVQWQRST-CCEZHUSRSA-N
Molecular Weight 413.481 g/mol
SMILES N1C(=NC(=Cc2c1[n](nc2C)-c1ccccc1)C(=O)OCC)N\C=C\c1ccccc1
SPLASH splash10-01t9-9004500000-d6f8127220acecfbb16a
Source of Spectrum J-58-5268-3
Synonyms 3-Methyl-1-phenyl-7-((E)-styrylamino)-1,6-dihydro-pyrazolo[3,4-d][1,3]diazepine-5-carboxylic acid ethyl ester Ethyl 3-methyl-1-phenyl-7-{[(E)-2-phenylethenyl]amino}-1,8-dihydropyrazolo[3,4-d][1,3]diazepine-5-carboxylate
Wiley ID 1375042