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2-[(4-Chloro-benzoyl)-phenyl-amino]-3-methyl-3,4-dihydro-quinazoline-4-carboxylic acid tert-butylamide
SpectraBase Compound ID LGMqIco1ztH
InChI InChI=1S/C27H27ClN4O2/c1-27(2,3)30-24(33)23-21-12-8-9-13-22(21)29-26(31(23)4)32(20-10-6-5-7-11-20)25(34)18-14-16-19(28)17-15-18/h5-17,23H,1-4H3,(H,30,33)
InChIKey PDBGNSVJDNVLHU-UHFFFAOYSA-N
Mol Weight 474.99 g/mol
Molecular Formula C27H27ClN4O2
Exact Mass 474.182254 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Eco5pKimmox
Name 2-[(4-Chloro-benzoyl)-phenyl-amino]-3-methyl-3,4-dihydro-quinazoline-4-carboxylic acid tert-butylamide
Alternate Name(s) N-(tert-Butyl)-2-(4-chloro-N-phenylbenzamido)-3-methyl-3,4-dihydroquinazoline-4-carboxamide N-tert-butyl-2-(N-[(4-chlorophenyl)-oxomethyl]anilino)-3-methyl-4H-quinazoline-4-carboxamide N-tert-butyl-2-[(4-chlorophenyl)carbonyl-phenyl-amino]-3-methyl-4H-quinazoline-4-carboxamide
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Formula C27H27ClN4O2
InChI InChI=1S/C27H27ClN4O2/c1-27(2,3)30-24(33)23-21-12-8-9-13-22(21)29-26(31(23)4)32(20-10-6-5-7-11-20)25(34)18-14-16-19(28)17-15-18/h5-17,23H,1-4H3,(H,30,33)
InChIKey PDBGNSVJDNVLHU-UHFFFAOYSA-N
Molecular Weight 474.992 g/mol
SMILES N(C(C1N(C(N(C(c2ccc(cc2)Cl)=O)c2ccccc2)=Nc2c1cccc2)C)=O)C(C)(C)C
SPLASH splash10-03mi-1194000000-05604f16106e4feaabc0
Source of Spectrum U1-2010-1093-4s
Wiley ID 1663384