1H-Imidazole-4,5-dicarboxylic acid 4-[(2-benzoyl-4-chloro-phenyl)-amide] 5-benzylamide

SpectraBase Compound ID	moUBOmqzpc
InChI	InChI=1S/C25H19ClN4O3/c26-18-11-12-20(19(13-18)23(31)17-9-5-2-6-10-17)30-25(33)22-21(28-15-29-22)24(32)27-14-16-7-3-1-4-8-16/h1-13,15H,14H2,(H,27,32)(H,28,29)(H,30,33)
InChIKey	AWTJSFHNBXXRCH-UHFFFAOYSA-N Google Search
Mol Weight	458.91 g/mol
Molecular Formula	C25H19ClN4O3
Exact Mass	458.114568 g/mol

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SpectraBase Spectrum ID	69efuWqvIgh
Name	1H-Imidazole-4,5-dicarboxylic acid 4-[(2-benzoyl-4-chloro-phenyl)-amide] 5-benzylamide
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	458.114568185 u
Formula	C25H19ClN4O3
InChI	InChI=1S/C25H19ClN4O3/c26-18-11-12-20(19(13-18)23(31)17-9-5-2-6-10-17)30-25(33)22-21(28-15-29-22)24(32)27-14-16-7-3-1-4-8-16/h1-13,15H,14H2,(H,27,32)(H,28,29)(H,30,33)
InChIKey	AWTJSFHNBXXRCH-UHFFFAOYSA-N
Molecular Weight	458.905 g/mol
SMILES	C1(=C(C(NCC2=CC=CC=C2)=O)NC=N1)C(NC1=C(C(=O)C2=CC=CC=C2)C=C(Cl)C=C1)=O