
 CHEMBL3954941

 72 74  0  0  0  0  0  0  0  0999 V2000
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M  END

>  <Chemical Name>
CHEMBL3954941

>  <PubChem CID>
89799794

>  <Formula>
C28H33F6N3O2

>  <Molecular Weight>
557.581000

>  <IUPAC Name>
(3R,4S)-N-[3,5-bis(trifluoromethyl)phenyl]-1-(2,6-dimethylphenyl)-3-[[ethyl(propan-2-yl)amino]methyl]-4-methyl-5-oxopyrrolidine-3-carboxamide

>  <XlogP>
5.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCN(CC1(CN(C(=O)C1C)C2=C(C=CC=C2C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(C)C

>  <Isomeric SMILES>
CCN(C[C@]1(CN(C(=O)[C@H]1C)C2=C(C=CC=C2C)C)C(=O)NC3=CC(=CC(=C3)C(F)(F)F)C(F)(F)F)C(C)C

>  <InChI Std. ID>
InChI=1S/C28H33F6N3O2/c1-7-36(16(2)3)14-26(15-37(24(38)19(26)6)23-17(4)9-8-10-18(23)5)25(39)35-22-12-20(27(29,30)31)11-21(13-22)28(32,33)34/h8-13,16,19H,7,14-15H2,1-6H3,(H,35,39)/t19-,26-/m1/s1

>  <InChI Key>
FENUPKINGVQIDI-NIYFSFCBSA-N

