
 CHEMBL3965837

 49 51  0  0  0  0  0  0  0  0999 V2000
   -6.4111    7.1549    0.0315 C   0  0  0  0  0
   -6.4910    5.6926    0.4578 C   0  0  0  0  0
   -5.2022    4.9098    0.3399 C   0  0  0  0  0
   -3.9507    5.4887    0.6060 C   0  0  0  0  0
   -2.7676    4.7487    0.4969 C   0  0  0  0  0
   -2.8402    3.4050    0.1203 C   0  0  0  0  0
   -4.0789    2.8035   -0.1068 C   0  0  0  0  0
   -5.2516    3.5498    0.0075 C   0  0  0  0  0
   -1.4866    5.3053    0.7089 N   0  0  0  0  0
   -1.2164    6.5082    1.3397 C   0  0  0  0  0
   -2.0263    7.1599    1.9903 O   0  0  0  0  0
    0.2404    6.9403    1.2106 C   0  0  0  0  0
    0.6116    7.2543   -0.2376 C   0  0  0  0  0
    0.4145    8.7496   -0.3493 C   0  0  0  0  0
    0.4113    9.3498   -1.4123 O   0  0  0  0  0
    0.2659    9.2586    0.9364 N   0  0  0  0  0
    0.5148    8.2479    1.9359 C   0  0  0  0  0
    0.2815   10.6298    1.2789 C   0  0  0  0  0
    1.3738   11.4595    0.9411 C   0  0  0  0  0
    1.3528   12.8100    1.3315 C   0  0  0  0  0
    0.2910   13.3277    2.0673 C   0  0  0  0  0
   -0.7805   12.5093    2.4051 C   0  0  0  0  0
   -0.8101   11.1646    2.0028 C   0  0  0  0  0
   -2.0373   10.3567    2.3344 C   0  0  0  0  0
    2.5786   10.9662    0.1876 C   0  0  0  0  0
   -7.4111    7.6004    0.0293 H   0  0  0  0  0
   -5.9913    7.2546   -0.9750 H   0  0  0  0  0
   -5.7954    7.7433    0.7195 H   0  0  0  0  0
   -7.2561    5.2122   -0.1650 H   0  0  0  0  0
   -6.8386    5.6344    1.4959 H   0  0  0  0  0
   -3.9103    6.5390    0.8755 H   0  0  0  0  0
   -1.9426    2.8011    0.0226 H   0  0  0  0  0
   -4.1324    1.7507   -0.3723 H   0  0  0  0  0
   -6.2084    3.0636   -0.1717 H   0  0  0  0  0
   -0.7006    4.7217    0.4520 H   0  0  0  0  0
    0.8540    6.1304    1.6225 H   0  0  0  0  0
   -0.0095    6.7419   -0.9766 H   0  0  0  0  0
    1.6688    7.0381   -0.4265 H   0  0  0  0  0
    1.5751    8.3076    2.2116 H   0  0  0  0  0
   -0.0833    8.3973    2.8367 H   0  0  0  0  0
    2.1783   13.4690    1.0707 H   0  0  0  0  0
    0.2943   14.3714    2.3692 H   0  0  0  0  0
   -1.6107   12.9321    2.9674 H   0  0  0  0  0
   -1.8541    9.7172    3.2015 H   0  0  0  0  0
   -2.3462    9.7512    1.4771 H   0  0  0  0  0
   -2.8859   11.0070    2.5748 H   0  0  0  0  0
    2.9194   10.0028    0.5800 H   0  0  0  0  0
    3.4210   11.6597    0.2912 H   0  0  0  0  0
    2.3576   10.8782   -0.8791 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  2 30  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 31  1  0  0  0
  5  6  2  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8 34  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 17  1  0  0  0
 12 13  1  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 16  1  0  0  0
 14 15  2  0  0  0
 16 17  1  0  0  0
 16 18  1  0  0  0
 17 39  1  0  0  0
 17 40  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 25  1  0  0  0
 20 21  2  0  0  0
 20 41  1  0  0  0
 21 22  1  0  0  0
 21 42  1  0  0  0
 22 23  2  0  0  0
 22 43  1  0  0  0
 23 24  1  0  0  0
 24 44  1  0  0  0
 24 45  1  0  0  0
 24 46  1  0  0  0
 25 47  1  0  0  0
 25 48  1  0  0  0
 25 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3965837

>  <PubChem CID>
68365598

>  <Formula>
C21H24N2O2

>  <Molecular Weight>
336.435000

>  <IUPAC Name>
1-(2,6-dimethylphenyl)-N-(3-ethylphenyl)-5-oxopyrrolidine-3-carboxamide

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC1=CC(=CC=C1)NC(=O)C2CC(=O)N(C2)C3=C(C=CC=C3C)C

>  <Isomeric SMILES>
CCC1=CC(=CC=C1)NC(=O)C2CC(=O)N(C2)C3=C(C=CC=C3C)C

>  <InChI Std. ID>
InChI=1S/C21H24N2O2/c1-4-16-9-6-10-18(11-16)22-21(25)17-12-19(24)23(13-17)20-14(2)7-5-8-15(20)3/h5-11,17H,4,12-13H2,1-3H3,(H,22,25)

>  <InChI Key>
ISAMVFYOKVMMJZ-UHFFFAOYSA-N

