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(Z)-N-(4'-(4-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)biphenyl-4-yl)acetamide
SpectraBase Compound ID 580yiPRQFym
InChI InChI=1S/C39H28N4O3/c1-26(44)40-31-20-16-27(17-21-31)28-18-22-33(23-19-28)43-38(45)35-15-9-8-14-34(35)36(39(43)46)24-30-25-42(32-12-6-3-7-13-32)41-37(30)29-10-4-2-5-11-29/h2-25H,1H3,(H,40,44)/b36-24-
InChIKey BQJGASOBIVMWRE-IBTHDSTKSA-N
Mol Weight 600.7 g/mol
Molecular Formula C39H28N4O3
Exact Mass 600.216141 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JdAwqaOs2Ta
Name (Z)-N-(4'-(4-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)biphenyl-4-yl)acetamide
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Formula C39H28N4O3
InChI InChI=1S/C39H28N4O3/c1-26(44)40-31-20-16-27(17-21-31)28-18-22-33(23-19-28)43-38(45)35-15-9-8-14-34(35)36(39(43)46)24-30-25-42(32-12-6-3-7-13-32)41-37(30)29-10-4-2-5-11-29/h2-25H,1H3,(H,40,44)/b36-24-
InChIKey BQJGASOBIVMWRE-IBTHDSTKSA-N
Literature Reference DOI 10.1080/00397911.2015.1030760
Molecular Weight 600.678 g/mol
SMILES N(c1ccc(-c2ccc(N3C(c4ccccc4\C(C3=O)=C\c3c(n[n](c3)-c3ccccc3)-c3ccccc3)=O)cc2)cc1)C(C)=O
SPLASH splash10-00c3-3319001000-876cc39d633993b4f799
Source of Spectrum SK-45-1632/SM10-17
Synonyms (Z)-N-(4'-(4-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-1,3-dioxo-3,4-dihydroisoquinolin-2(1H)-yl)-[1,1'-biphenyl]-4-yl)acetamide
Wiley ID 1805699