
 CHEMBL3955807

 69 71  0  0  0  0  0  0  0  0999 V2000
    0.9785    2.2614   -1.4033 C   0  0  0  0  0
    2.1951    1.4949   -1.9303 C   0  0  0  0  0
    3.4785    2.2515   -1.9933 N   0  0  0  0  0
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    5.2547    5.4616    0.2885 N   0  0  0  0  0
    5.1013    4.8171    1.5060 C   0  0  0  0  0
    4.8603    5.3112    2.6017 O   0  0  0  0  0
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    7.3734    7.0849   -1.0879 C   0  0  0  0  0
    6.4155    2.1950   -0.8027 C   0  0  0  0  0
    7.4670    2.0239   -0.1940 O   0  0  0  0  0
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    9.1993   -0.2976   -3.2103 C   0  0  0  0  0
    8.3473    0.4666   -2.3926 C   0  0  0  0  0
   10.4799   -0.8549   -2.6341 C   0  0  0  0  0
   11.3546    0.1196   -2.2624 F   0  0  0  0  0
   10.2661   -1.6161   -1.5269 F   0  0  0  0  0
   11.1584   -1.6520   -3.5059 F   0  0  0  0  0
    7.2531   -0.2839   -6.4903 C   0  0  0  0  0
    8.2110    0.1438   -7.3575 F   0  0  0  0  0
    7.0744   -1.6082   -6.7513 F   0  0  0  0  0
    6.1014    0.3329   -6.8729 F   0  0  0  0  0
    0.0770    1.6541   -1.5236 H   0  0  0  0  0
    0.8155    3.1987   -1.9393 H   0  0  0  0  0
    1.0780    2.4857   -0.3364 H   0  0  0  0  0
    1.9553    1.0819   -2.9158 H   0  0  0  0  0
    2.3425    0.6074   -1.3015 H   0  0  0  0  0
    4.4193    3.7636   -3.1011 H   0  0  0  0  0
    2.7526    4.1534   -2.6699 H   0  0  0  0  0
    3.6144    1.9846   -4.6794 H   0  0  0  0  0
    3.2917    3.6613   -5.1215 H   0  0  0  0  0
    1.9837    2.6606   -4.4899 H   0  0  0  0  0
    3.6899    1.7995    0.0175 H   0  0  0  0  0
    3.1604    3.4496   -0.2747 H   0  0  0  0  0
    5.1215    4.8483   -1.6619 H   0  0  0  0  0
    6.7200    4.6428   -0.9402 H   0  0  0  0  0
    4.5234    2.8009    1.7762 H   0  0  0  0  0
    7.4969    3.5361    1.7203 H   0  0  0  0  0
    6.8122    1.9248    2.1041 H   0  0  0  0  0
    6.5079    3.2991    3.1491 H   0  0  0  0  0
    6.5948    9.6119   -1.3113 H   0  0  0  0  0
    4.5802   10.7109   -0.4403 H   0  0  0  0  0
    2.8719    9.4053    0.7513 H   0  0  0  0  0
    2.6211    5.7897    0.8090 H   0  0  0  0  0
    1.8173    7.3252    1.0398 H   0  0  0  0  0
    2.9107    6.7469    2.2993 H   0  0  0  0  0
    7.2319    6.5520   -2.0334 H   0  0  0  0  0
    7.8299    6.4299   -0.3388 H   0  0  0  0  0
    8.0991    7.8853   -1.2687 H   0  0  0  0  0
    5.2928    1.8522   -2.4794 H   0  0  0  0  0
    5.8422    1.0957   -4.5963 H   0  0  0  0  0
    9.4857   -1.1183   -5.1891 H   0  0  0  0  0
    8.6622    0.6274   -1.3653 H   0  0  0  0  0
  1  2  1  0  0  0
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  2  3  1  0  0  0
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  3  6  1  0  0  0
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M  END

>  <Chemical Name>
CHEMBL3955807

>  <PubChem CID>
89799816

>  <Formula>
C27H31F6N3O2

>  <Molecular Weight>
543.554000

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

>  <XlogP>
5.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
9

>  <Canonical SMILES>
CCN(CC)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

>  <Isomeric SMILES>
CCN(CC)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

>  <InChI Std. ID>
InChI=1S/C27H31F6N3O2/c1-6-35(7-2)14-25(15-36(23(37)18(25)5)22-16(3)9-8-10-17(22)4)24(38)34-21-12-19(26(28,29)30)11-20(13-21)27(31,32)33/h8-13,18H,6-7,14-15H2,1-5H3,(H,34,38)/t18-,25-/m1/s1

>  <InChI Key>
HYGLNARXXHIBOP-IQGLISFBSA-N

