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2-[Benzoyl-(4-chloro-phenyl)-amino]-3-butyl-3,4-dihydro-quinazoline-4-carboxylic acid butylamide
SpectraBase Compound ID 4f2GnYyTW5c
InChI InChI=1S/C30H33ClN4O2/c1-3-5-20-32-28(36)27-25-14-10-11-15-26(25)33-30(34(27)21-6-4-2)35(24-18-16-23(31)17-19-24)29(37)22-12-8-7-9-13-22/h7-19,27H,3-6,20-21H2,1-2H3,(H,32,36)
InChIKey XIVKZMMTYFRRDJ-UHFFFAOYSA-N
Mol Weight 517.1 g/mol
Molecular Formula C30H33ClN4O2
Exact Mass 516.229204 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 54u5KCWl7I
Name 2-[Benzoyl-(4-chloro-phenyl)-amino]-3-butyl-3,4-dihydro-quinazoline-4-carboxylic acid butylamide
Alternate Name(s) N,3-Dibutyl-2-[N-(4-chlorophenyl)benzamido]-3,4-dihydroquinazoline-4-carboxamide 2-(N-benzoyl-4-chloroanilino)-N,3-dibutyl-4H-quinazoline-4-carboxamide N,3-dibutyl-2-[(4-chlorophenyl)-(phenylcarbonyl)amino]-4H-quinazoline-4-carboxamide
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Formula C30H33ClN4O2
InChI InChI=1S/C30H33ClN4O2/c1-3-5-20-32-28(36)27-25-14-10-11-15-26(25)33-30(34(27)21-6-4-2)35(24-18-16-23(31)17-19-24)29(37)22-12-8-7-9-13-22/h7-19,27H,3-6,20-21H2,1-2H3,(H,32,36)
InChIKey XIVKZMMTYFRRDJ-UHFFFAOYSA-N
Molecular Weight 517.073 g/mol
SMILES N(C(C1N(C(N(C(=O)c2ccccc2)c2ccc(cc2)Cl)=Nc2c1cccc2)CCCC)=O)CCCC
SPLASH splash10-016r-8030900000-009e4673b939c47cd070
Source of Spectrum U1-2010-1093-4u
Wiley ID 1663382