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(Z)-10-[(1,3-diphenyl-1H-pyrazol-4-yl)methylene]-2-(2-imino-2H-chromen-3-yl)-[1,2,4]triazolo[1,5-b]isoquinolin-5(10H)-one

View entire compound with spectra: 1 MS (GC)

(Z)-10-[(1,3-diphenyl-1H-pyrazol-4-yl)methylene]-2-(2-imino-2H-chromen-3-yl)-[1,2,4]triazolo[1,5-b]isoquinolin-5(10H)-one
SpectraBase Compound ID BlYAvg9yzvo
InChI InChI=1S/C35H22N6O2/c36-32-29(19-23-13-7-10-18-30(23)43-32)33-37-34-27-17-9-8-16-26(27)28(35(42)41(34)39-33)20-24-21-40(25-14-5-2-6-15-25)38-31(24)22-11-3-1-4-12-22/h1-21,36H/b28-20-,36-32?
InChIKey OBUCPFJSMHMCIY-PIOZJHDUSA-N
Mol Weight 558.6 g/mol
Molecular Formula C35H22N6O2
Exact Mass 558.180424 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5RRccBojD6F
Name (Z)-10-[(1,3-diphenyl-1H-pyrazol-4-yl)methylene]-2-(2-imino-2H-chromen-3-yl)-[1,2,4]triazolo[1,5-b]isoquinolin-5(10H)-one
Alternate Name(s) (Z)-6-((1,3-diphenyl-1H-pyrazol-4-yl)methylene)-2-(2-imino-2H-chromen-3-yl)-[1,2,4]triazolo[5,1-a]isoquinolin-5(6H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C35H22N6O2
InChI InChI=1S/C35H22N6O2/c36-32-29(19-23-13-7-10-18-30(23)43-32)33-37-34-27-17-9-8-16-26(27)28(35(42)41(34)39-33)20-24-21-40(25-14-5-2-6-15-25)38-31(24)22-11-3-1-4-12-22/h1-21,36H/b28-20-,36-32?
InChIKey OBUCPFJSMHMCIY-PIOZJHDUSA-N
Literature Reference DOI 10.1080/00397911.2015.1030760
Molecular Weight 558.601 g/mol
SMILES N=C1Oc2c(C=C1c1n[n]3C(\C(c4ccccc4-c3n1)=C/c1c(n[n](c1)-c1ccccc1)-c1ccccc1)=O)cccc2
SPLASH splash10-00tb-2900000000-9ca01839c2c15b848b1e
Source of Spectrum SK-45-1632/SM3-4
Wiley ID 1805704