
 CHEMBL117684

 47 50  0  0  0  0  0  0  0  0999 V2000
    4.1080    2.8293    3.8379 C   0  0  0  0  0
    4.8080    2.5567    2.5131 C   0  0  0  0  0
    4.5541    3.5723    1.4998 N   0  0  0  0  0
    5.5379    4.4204    1.0140 C   0  0  0  0  0
    6.9395    4.3955    1.1381 C   0  0  0  0  0
    7.6777    5.4313    0.5577 C   0  0  0  0  0
    7.0444    6.4717   -0.1105 C   0  0  0  0  0
    5.6514    6.4957   -0.2199 C   0  0  0  0  0
    4.8855    5.4496    0.3393 C   0  0  0  0  0
    3.4862    5.1682    0.3745 C   0  0  0  0  0
    3.3078    3.9154    0.9794 C   0  0  0  0  0
    2.0284    3.2993    1.0258 C   0  0  0  0  0
    0.9341    4.0505    0.5672 C   0  0  0  0  0
    1.0927    5.3197    0.0232 C   0  0  0  0  0
    2.3627    5.8735   -0.1051 C   0  0  0  0  0
    1.8931    1.9550    1.4291 N   0  0  0  0  0
    0.7264    1.2699    1.7139 C   0  0  0  0  0
   -0.3914    1.7597    1.8407 O   0  0  0  0  0
    0.9857   -0.2099    1.9187 C   0  0  0  0  0
   -0.3183   -0.9945    2.0445 C   0  0  0  0  0
   -0.0914   -2.4853    2.0694 C   0  0  0  0  0
   -0.5517   -3.2902    1.0239 C   0  0  0  0  0
   -0.3299   -4.6572    1.0881 C   0  0  0  0  0
    0.3137   -5.2672    2.1055 N   0  0  0  0  0
    0.7448   -4.4741    3.1085 C   0  0  0  0  0
    0.5682   -3.0988    3.1374 C   0  0  0  0  0
    4.3144    2.0207    4.5459 H   0  0  0  0  0
    3.0227    2.9074    3.7316 H   0  0  0  0  0
    4.4622    3.7671    4.2789 H   0  0  0  0  0
    4.5404    1.5843    2.0952 H   0  0  0  0  0
    5.8833    2.5093    2.7050 H   0  0  0  0  0
    7.4566    3.5955    1.6572 H   0  0  0  0  0
    8.7629    5.4224    0.6333 H   0  0  0  0  0
    7.6331    7.2699   -0.5551 H   0  0  0  0  0
    5.1632    7.3083   -0.7503 H   0  0  0  0  0
   -0.0720    3.6406    0.5850 H   0  0  0  0  0
    0.2242    5.8649   -0.3361 H   0  0  0  0  0
    2.4843    6.8486   -0.5691 H   0  0  0  0  0
    2.7410    1.4153    1.4511 H   0  0  0  0  0
    1.5954   -0.3276    2.8230 H   0  0  0  0  0
    1.5690   -0.5810    1.0673 H   0  0  0  0  0
   -0.9835   -0.7387    1.2091 H   0  0  0  0  0
   -0.8550   -0.7016    2.9559 H   0  0  0  0  0
   -1.0801   -2.8694    0.1745 H   0  0  0  0  0
   -0.6781   -5.3169    0.2983 H   0  0  0  0  0
    1.2510   -4.9898    3.9193 H   0  0  0  0  0
    0.9336   -2.5258    3.9827 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 11  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  6  7  2  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 34  1  0  0  0
  8  9  2  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 14 15  2  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 40  1  0  0  0
 19 41  1  0  0  0
 20 21  1  0  0  0
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 21 22  2  0  0  0
 21 26  1  0  0  0
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 23 24  2  0  0  0
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 25 46  1  0  0  0
 26 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL117684

>  <PubChem CID>
11110677

>  <Formula>
C22H21N3O

>  <Molecular Weight>
343.430000

>  <IUPAC Name>
N-(9-ethylcarbazol-1-yl)-3-pyridin-4-ylpropanamide

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCN1C2=CC=CC=C2C3=C1C(=CC=C3)NC(=O)CCC4=CC=NC=C4

>  <Isomeric SMILES>
CCN1C2=CC=CC=C2C3=C1C(=CC=C3)NC(=O)CCC4=CC=NC=C4

>  <InChI Std. ID>
InChI=1S/C22H21N3O/c1-2-25-20-9-4-3-6-17(20)18-7-5-8-19(22(18)25)24-21(26)11-10-16-12-14-23-15-13-16/h3-9,12-15H,2,10-11H2,1H3,(H,24,26)

>  <InChI Key>
CCUHKMTUURSZNA-UHFFFAOYSA-N

