5-[2-(4-Methylphenyl)-4-oxo-3-quinazolinyl]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester

SpectraBase Compound ID	IdihkWP9y0h
InChI	InChI=1S/C27H22N4O3/c1-3-34-27(33)22-17-28-31(20-9-5-4-6-10-20)25(22)30-24(19-15-13-18(2)14-16-19)29-23-12-8-7-11-21(23)26(30)32/h4-17H,3H2,1-2H3
InChIKey	NASMDINHSOMCNW-UHFFFAOYSA-N Google Search
Mol Weight	450.5 g/mol
Molecular Formula	C27H22N4O3
Exact Mass	450.169191 g/mol

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SpectraBase Spectrum ID	Cbb2Uqi9k4q
Name	5-[2-(4-Methylphenyl)-4-oxo-3-quinazolinyl]-1-phenyl-4-pyrazolecarboxylic acid ethyl ester
Comments	Computed using HOSE algorithm
Copyright	Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass	450.169190581 u
Formula	C27H22N4O3
InChI	InChI=1S/C27H22N4O3/c1-3-34-27(33)22-17-28-31(20-9-5-4-6-10-20)25(22)30-24(19-15-13-18(2)14-16-19)29-23-12-8-7-11-21(23)26(30)32/h4-17H,3H2,1-2H3
InChIKey	NASMDINHSOMCNW-UHFFFAOYSA-N
Molecular Weight	450.498 g/mol
SMILES	C1(N2C(=NC=3C(C2=O)=CC=CC3)C2=CC=C(C=C2)C)=C(C=NN1C=1C=CC=CC1)C(=O)OCC