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N-Cyclohexyl-2-(4-methoxyphenyl)-2-(8-nitro-6-oxobenzo[c][1,2,3]triazolo[4,5-e]azepin-5-(3H,4H,6H)-yl)acetamide
SpectraBase Compound ID 3Kk0FvuZI90
InChI InChI=1S/C25H26N6O5/c1-36-18-10-7-15(8-11-18)23(24(32)26-16-5-3-2-4-6-16)30-14-21-22(28-29-27-21)19-12-9-17(31(34)35)13-20(19)25(30)33/h7-13,16,23H,2-6,14H2,1H3,(H,26,32)(H,27,28,29)
InChIKey SNNMVELSFXRCJS-UHFFFAOYSA-N
Mol Weight 490.52 g/mol
Molecular Formula C25H26N6O5
Exact Mass 490.196468 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8Dgt936pRLr
Name N-Cyclohexyl-2-(4-methoxyphenyl)-2-(8-nitro-6-oxobenzo[c][1,2,3]triazolo[4,5-e]azepin-5-(3H,4H,6H)-yl)acetamide
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Formula C25H26N6O5
InChI InChI=1S/C25H26N6O5/c1-36-18-10-7-15(8-11-18)23(24(32)26-16-5-3-2-4-6-16)30-14-21-22(28-29-27-21)19-12-9-17(31(34)35)13-20(19)25(30)33/h7-13,16,23H,2-6,14H2,1H3,(H,26,32)(H,27,28,29)
InChIKey SNNMVELSFXRCJS-UHFFFAOYSA-N
Literature Reference DOI 10.3184/174751916X14505397376261
Molecular Weight 490.520 g/mol
SMILES [nH]1nnc2-c3c(C(N(C(C(=O)NC4CCCCC4)c4ccc(cc4)OC)Cc12)=O)cc(cc3)[N+](=O)[O-]
SPLASH splash10-0a59-8946000000-69700ece4bf152dad531
Source of Spectrum JCR-40-65-6h
Synonyms N-cyclohexyl-2-(4-methoxyphenyl)-2-(8-nitro-6-oxo-4,6-dihydrobenzo[c][1,2,3]triazolo[4,5-e]azepin-5(3H)-yl)acetamide
Wiley ID 1804149