2-Amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-1-(3-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile

ChemSpider ID: 2850054
Molecular Formula: C₃₁H₂₇BrFN₃O₂
Monoisotopic mass: 571.127075 Da
Systematic name

2-Amino-4-{5-[(2-bromophenoxy)methyl]-2,4-dimethylphenyl}-1-(3-fluorophenyl)-5-oxo-1,4,5,6,7,8-hexahydro-3-quinolinecarbonitrile
SMILES and InChIs

SMILES:

Brc5ccccc5OCc1cc(c(cc1C)C)C3C=2C(=O)CCCC=2N(C(=C3\C#N)\N)c4cccc(F)c4 Copied

Std. InChI:

InChI=1S/C31H27BrFN3O2/c1-18-13-19(2)23(14-20(18)17-38-28-12-4-3-9-25(28)32)29-24(16-34)31(35)36(22-8-5-7-21(33)15-22)26-10-6-11-27(37)30(26)29/h3-5,7-9,12-15,29H,6,10-11,17,35H2,1-2H3 Copied

Std. InChIKey:

MAHMYDDAVOPBKA-UHFFFAOYSA-N Copied

ChemSpider Searches

Predicted data is generated using the ACD/Labs’ ACD/PhysChem Suite, for more information see their website.

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