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3-[4-(N2-2-chlorophenyl-methylidene hydrazinocarbonylmethoxy)phenyl]-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydroquinazoline
SpectraBase Compound ID TUJQ3IYGNr
InChI InChI=1S/C31H30Cl2N4O3/c1-31(2)15-28-27(29(38)16-31)18-36(20-37(28)25-9-7-23(33)8-10-25)24-11-13-26(14-12-24)40-19-30(39)35-34-17-21-3-5-22(32)6-4-21/h3-14,17H,15-16,18-20H2,1-2H3,(H,35,39)/b34-17+
InChIKey RUXZCCACMMAGFR-KVAAJVFYSA-N
Mol Weight 577.51 g/mol
Molecular Formula C31H30Cl2N4O3
Exact Mass 576.169496 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3O15dD5UaPz
Name 3-[4-(N2-2-chlorophenyl-methylidene hydrazinocarbonylmethoxy)phenyl]-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydroquinazoline
Alternate Name(s) 2-[4-[1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2,4,6,8-tetrahydroquinazolin-3-yl]phenoxy]-N-[(E)-(4-chlorophenyl)methylideneamino]acetamide 2-[4-[1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2,4,6,8-tetrahydroquinazolin-3-yl]phenoxy]-N-[(E)-(4-chlorophenyl)methyleneamino]acetamide 2-[4-[1-(4-chlorophenyl)-7,7-dimethyl-5-oxidanylidene-2,4,6,8-tetrahydroquinazolin-3-yl]phenoxy]-N-[(E)-(4-chlorophenyl)methylideneamino]ethanamide
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Formula C31H30Cl2N4O3
InChI InChI=1S/C31H30Cl2N4O3/c1-31(2)15-28-27(29(38)16-31)18-36(20-37(28)25-9-7-23(33)8-10-25)24-11-13-26(14-12-24)40-19-30(39)35-34-17-21-3-5-22(32)6-4-21/h3-14,17H,15-16,18-20H2,1-2H3,(H,35,39)/b34-17+
InChIKey RUXZCCACMMAGFR-KVAAJVFYSA-N
Molecular Weight 577.512 g/mol
SMILES N(\N=C\c1ccc(Cl)cc1)C(COc1ccc(N2CC3=C(N(c4ccc(cc4)Cl)C2)CC(CC3=O)(C)C)cc1)=O
SPLASH splash10-00w9-7921080000-342063cb9d4f3056f87d
Source of Spectrum F2-45-5394-13
Wiley ID 1703625