2-[Benzoyl-(4-chloro-phenyl)-amino]-3-butyl-3,4-dihydro-quinazoline-4-carboxylic acid tert-butylamide

SpectraBase Compound ID	EO7QQeWhIs0
InChI	InChI=1S/C30H33ClN4O2/c1-5-6-20-34-26(27(36)33-30(2,3)4)24-14-10-11-15-25(24)32-29(34)35(23-18-16-22(31)17-19-23)28(37)21-12-8-7-9-13-21/h7-19,26H,5-6,20H2,1-4H3,(H,33,36)
InChIKey	XXMWLHFDNGFJQV-UHFFFAOYSA-N Google Search
Mol Weight	517.1 g/mol
Molecular Formula	C30H33ClN4O2
Exact Mass	516.229204 g/mol

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SpectraBase Spectrum ID	4ktzZzwPkuk
Name	2-[Benzoyl-(4-chloro-phenyl)-amino]-3-butyl-3,4-dihydro-quinazoline-4-carboxylic acid tert-butylamide
Alternate Name(s)	3-Butyl-N-(tert-butyl)-2-[N-(4-chlorophenyl)benzamido]-3,4-dihydroquinazoline-4-carboxamide 2-(N-benzoyl-4-chloroanilino)-N-tert-butyl-3-butyl-4H-quinazoline-4-carboxamide N-tert-butyl-3-butyl-2-[(4-chlorophenyl)-(phenylcarbonyl)amino]-4H-quinazoline-4-carboxamide
Copyright	Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula	C30H33ClN4O2
InChI	InChI=1S/C30H33ClN4O2/c1-5-6-20-34-26(27(36)33-30(2,3)4)24-14-10-11-15-25(24)32-29(34)35(23-18-16-22(31)17-19-23)28(37)21-12-8-7-9-13-21/h7-19,26H,5-6,20H2,1-4H3,(H,33,36)
InChIKey	XXMWLHFDNGFJQV-UHFFFAOYSA-N
Molecular Weight	517.073 g/mol
SMILES	N(C(C1N(C(N(C(=O)c2ccccc2)c2ccc(cc2)Cl)=Nc2c1cccc2)CCCC)=O)C(C)(C)C
SPLASH	splash10-07vi-3671910000-68995982d7cdc3223a93
Source of Spectrum	U1-2010-1092-4f
Wiley ID	1663397