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7,8-DI-(4-METHOXYPHENYL)-1,3-DIAZETO-[1',2'-A]-PYRAZOLO-[3,4-D]-[1,3]-DIAZEPINE
SpectraBase Compound ID El8rCXxpetM
InChI InChI=1S/C31H28N6O4/c1-5-41-29(38)27-19-26-20(2)34-37(23-9-7-6-8-10-23)28(26)33-31-35(22-13-17-25(40-4)18-14-22)30(36(27)31)32-21-11-15-24(39-3)16-12-21/h6-19H,5H2,1-4H3/b32-30+
InChIKey NVKINSAJRYKTHX-NHQGMKOOSA-N
Mol Weight 548.6 g/mol
Molecular Formula C31H28N6O4
Exact Mass 548.217203 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 96Q4RWnzKy5
Name 1-Phenyl-3-methyl-5-(ethoxycarbonyl)-7-[(4-methoxyphenyl)imino]-8-(4-methoxyphenyl)-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 C31H28N6O4
InChI InChI=1S/C31H28N6O4/c1-5-41-29(38)27-19-26-20(2)34-37(23-9-7-6-8-10-23)28(26)33-31-35(22-13-17-25(40-4)18-14-22)30(36(27)31)32-21-11-15-24(39-3)16-12-21/h6-19H,5H2,1-4H3/b32-30+
InChIKey NVKINSAJRYKTHX-NHQGMKOOSA-N
Molecular Weight 548.603 g/mol
SMILES C1=2N(C(=Cc3c(n[n](c3N2)-c2ccccc2)C)C(=O)OCC)\C(N1c1ccc(cc1)OC)=N\c1ccc(cc1)OC
SPLASH splash10-000i-0090210000-9ec2aab8fe6c0bf77901
Source of Spectrum J-58-5269-4
Synonyms Ethyl (7E)-8-(4-methoxyphenyl)-7-[(4-methoxyphenyl)imino]-3-methyl-1-phenyl-7,8-dihydro-1H-[1,3]diazeto[1,2-a]pyrazolo[3,4-d][1,3]diazepine-5-carboxylate
Wiley ID 1405472