4-(6-Amino-5-cyano-3-phenyl-1,4-dihydropyrano[2,3-C]pyrazol-4-yl)phenyl benzoate

SpectraBase Compound ID	4jdfY1QeuCx
InChI	InChI=1S/C26H18N4O3/c27-15-20-21(16-11-13-19(14-12-16)32-26(31)18-9-5-2-6-10-18)22-23(17-7-3-1-4-8-17)29-30-25(22)33-24(20)28/h1-14,21H,28H2,(H,29,30)
InChIKey	DMZGCXBWVICBCO-UHFFFAOYSA-N Google Search
Mol Weight	434.46 g/mol
Molecular Formula	C26H18N4O3
Exact Mass	434.13789 g/mol

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SpectraBase Spectrum ID	249JMxN4fLQ
Name	4-(6-Amino-5-cyano-3-phenyl-1,4-dihydropyrano[2,3-C]pyrazol-4-yl)phenyl benzoate
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	434.137890453 u
Formula	C26H18N4O3
InChI	InChI=1S/C26H18N4O3/c27-15-20-21(16-11-13-19(14-12-16)32-26(31)18-9-5-2-6-10-18)22-23(17-7-3-1-4-8-17)29-30-25(22)33-24(20)28/h1-14,21H,28H2,(H,29,30)
InChIKey	DMZGCXBWVICBCO-UHFFFAOYSA-N
Molecular Weight	434.455 g/mol
SMILES	NC1=C(C(C2=C(O1)NN=C2C1=CC=CC=C1)C=1C=CC(OC(=O)C=2C=CC=CC2)=CC1)C#N