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

ChemSpider ID: 2850327
Molecular Formula: C₃₁H₂₇BrFN₃O₂
Monoisotopic mass: 571.127075 Da
Systematic name

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

SMILES:

Brc5ccc(OCc1cc(cc(c1C)C3C=2C(=O)CCCC=2N(C(=C3\C#N)\N)c4ccccc4F)C)cc5 Copied

Std. InChI:

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

Std. InChIKey:

IFHQOEBXYMUEJJ-UHFFFAOYSA-N Copied

ChemSpider Searches

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

Patents	Personal Collections
Publication or Magazine Article	Web-based Article (blog or commentary)
Available Chemicals Databases	Biological Properties
Chemical Reactions	Chemical Safety Data
Drugs or Compounds in Development	Imaging Agents
Information Aggregators	Journal Publishers via MeSH
Ligand/binding/crystal Structure Databases	Metabolic Pathways
Molecular Libraries Screening Center Network	Natural Products
NIH Substance Repository	Physical Properties (including SAR/QSAR databases)
Protein 3D Structures	Spectroscopy Databases
Substance Vendors	Theoretical Properties
Toxicology/Environmental Databases	Virtual Library