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2-chloro-4-{[(3S)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile


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Chemical Component Summary

Name2-chloro-4-{[(3S)-1-methylpyrrolidin-3-yl][2-(trifluoromethyl)benzyl]amino}benzonitrile
Identifiers2-chloro-4-[[(1S,3S)-1-methylpyrrolidin-3-yl]-[[2-(trifluoromethyl)phenyl]methyl]amino]benzonitrile
FormulaC20 H19 Cl F3 N3
Molecular Weight393.833
TypeNON-POLYMER
Isomeric SMILESC[N@]1CC[C@@H](C1)N(Cc2ccccc2C(F)(F)F)c3ccc(c(c3)Cl)C#N
InChIInChI=1S/C20H19ClF3N3/c1-26-9-8-17(13-26)27(16-7-6-14(11-25)19(21)10-16)12-15-4-2-3-5-18(15)20(22,23)24/h2-7,10,17H,8-9,12-13H2,1H3/t17-/m0/s1
InChIKeyHMOAZJHSXXENHE-KRWDZBQOSA-N

Chemical Details

Formal Charge0
Atom Count46
Chiral Atom Count1
Bond Count48
Aromatic Bond Count12

Related Resource References

Resource NameReference
Pharos CHEMBL558664
PubChem 16661702
ChEMBL CHEMBL558664