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3-[4-(N2-bromopheny-methylidene hydrazino carbonylmethoxy)phenyl]-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydroquinazoline
SpectraBase Compound ID 3drtbszyEFr
InChI InChI=1S/C31H30BrClN4O3/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 LHVGTFCUDSXMMD-KVAAJVFYSA-N
Mol Weight 621.96 g/mol
Molecular Formula C31H30BrClN4O3
Exact Mass 620.118982 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8T0EYbU4ig8
Name 3-[4-(N2-bromopheny-methylidene hydrazino carbonylmethoxy)phenyl]-1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-1,2,3,4,5,6,7,8-octahydroquinazoline
Alternate Name(s) N-[(E)-(4-bromophenyl)methylideneamino]-2-[4-[1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2,4,6,8-tetrahydroquinazolin-3-yl]phenoxy]acetamide N-[(E)-(4-bromophenyl)methyleneamino]-2-[4-[1-(4-chlorophenyl)-7,7-dimethyl-5-oxo-2,4,6,8-tetrahydroquinazolin-3-yl]phenoxy]acetamide N-[(E)-(4-bromophenyl)methylideneamino]-2-[4-[1-(4-chlorophenyl)-7,7-dimethyl-5-oxidanylidene-2,4,6,8-tetrahydroquinazolin-3-yl]phenoxy]ethanamide
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Formula C31H30BrClN4O3
InChI InChI=1S/C31H30BrClN4O3/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 LHVGTFCUDSXMMD-KVAAJVFYSA-N
Molecular Weight 621.963 g/mol
SMILES N(\N=C\c1ccc(Br)cc1)C(COc1ccc(N2CC3=C(N(c4ccc(cc4)Cl)C2)CC(CC3=O)(C)C)cc1)=O
SPLASH splash10-004i-9954001000-f6feb5fea88cd9b560e2
Source of Spectrum F2-45-5394-11
Wiley ID 1703626