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1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[(phenyl)imino]-8-phenyl-1,3-diazeto[1',2'-a]pyrazolo[3,4-d][1,3]diazepine
SpectraBase Compound ID E3NbHCjbg33
InChI InChI=1S/C29H24N6O2/c1-3-37-27(36)25-19-24-20(2)32-35(23-17-11-6-12-18-23)26(24)31-29-33(22-15-9-5-10-16-22)28(34(25)29)30-21-13-7-4-8-14-21/h4-19H,3H2,1-2H3/b30-28+
InChIKey OWOYOMPKCYWBAL-SJCQXOIGSA-N
Mol Weight 488.55 g/mol
Molecular Formula C29H24N6O2
Exact Mass 488.196074 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KOpZUVKLJwF
Name 1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[(phenyl)imino]-8-phenyl-1,3-diazeto[1',2'-a]pyrazolo[3,4-d][1,3]diazepine
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C29H24N6O2
InChI InChI=1S/C29H24N6O2/c1-3-37-27(36)25-19-24-20(2)32-35(23-17-11-6-12-18-23)26(24)31-29-33(22-15-9-5-10-16-22)28(34(25)29)30-21-13-7-4-8-14-21/h4-19H,3H2,1-2H3/b30-28+
InChIKey OWOYOMPKCYWBAL-SJCQXOIGSA-N
Molecular Weight 488.551 g/mol
SMILES C1=2N(C(=Cc3c(n[n](c3N2)-c2ccccc2)C)C(=O)OCC)\C(N1c1ccccc1)=N\c1ccccc1
SPLASH splash10-000i-0000900000-b11901fdf99a58841756
Source of Spectrum J-58-5269-4
Synonyms Ethyl (7E)-3-methyl-1,8-diphenyl-7-(phenylimino)-7,8-dihydro-1H-[1,3]diazeto[1,2-a]pyrazolo[3,4-d][1,3]diazepine-5-carboxylate
Wiley ID 1396918