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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

View entire compound with spectra: 1 NMR, and 1 MS (GC)

(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

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 1mF3qp0VTx3
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
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 600.216140775 u
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
Molecular Weight 600.678 g/mol
SMILES C1=CC=CC2=C1\C(C(=O)N(C2=O)C1=CC=C(C=C1)C1=CC=C(C=C1)NC(C)=O)=C\C=1C(=NN(C1)C1=CC=CC=C1)C1=CC=CC=C1