
 Org 27569

 57 60  0  0  0  0  0  0  0  0999 V2000
    1.3724    4.7578    5.0728 C   0  0  0  0  0
    2.1552    3.4884    4.7717 C   0  0  0  0  0
    1.3251    2.2506    4.9480 C   0  0  0  0  0
    0.5372    1.6161    3.9889 C   0  0  0  0  0
   -0.0230    0.5178    4.6056 N   0  0  0  0  0
    0.3649    0.4214    5.9159 C   0  0  0  0  0
    1.2098    1.4979    6.1664 C   0  0  0  0  0
    1.7603    1.6302    7.4587 C   0  0  0  0  0
    1.4480    0.6764    8.4327 C   0  0  0  0  0
    0.6021   -0.3927    8.1503 C   0  0  0  0  0
    0.0397   -0.5394    6.8798 C   0  0  0  0  0
    2.1285    0.8237   10.0088 Cl  0  0  0  0  0
    0.3359    1.9246    2.5848 C   0  0  0  0  0
    1.1006    2.6106    1.9122 O   0  0  0  0  0
   -0.8060    1.3570    2.0547 N   0  0  0  0  0
   -1.1678    1.5568    0.6628 C   0  0  0  0  0
   -2.1958    0.5222    0.1842 C   0  0  0  0  0
   -3.5134    0.5735    0.9235 C   0  0  0  0  0
   -4.0190   -0.5532    1.5724 C   0  0  0  0  0
   -5.2353   -0.4936    2.2754 C   0  0  0  0  0
   -6.0110    0.6758    2.3489 C   0  0  0  0  0
   -5.4792    1.7895    1.6767 C   0  0  0  0  0
   -4.2671    1.7440    0.9712 C   0  0  0  0  0
   -7.1929    0.7361    3.0932 N   0  0  0  0  0
   -7.9752    1.9828    3.1596 C   0  0  0  0  0
   -8.9513    2.0416    1.9829 C   0  0  0  0  0
   -9.8640    0.8135    1.9772 C   0  0  0  0  0
   -9.0614   -0.4878    2.0609 C   0  0  0  0  0
   -8.0538   -0.4552    3.2135 C   0  0  0  0  0
    0.5513    4.8934    4.3612 H   0  0  0  0  0
    2.0276    5.6324    5.0067 H   0  0  0  0  0
    0.9433    4.7318    6.0804 H   0  0  0  0  0
    3.0247    3.4411    5.4388 H   0  0  0  0  0
    2.5624    3.5400    3.7567 H   0  0  0  0  0
   -0.6069   -0.1577    4.1338 H   0  0  0  0  0
    2.4242    2.4569    7.6902 H   0  0  0  0  0
    0.3744   -1.1265    8.9193 H   0  0  0  0  0
   -0.6188   -1.3720    6.6545 H   0  0  0  0  0
   -1.5760    1.2230    2.6977 H   0  0  0  0  0
   -0.2608    1.4767    0.0523 H   0  0  0  0  0
   -1.5404    2.5816    0.5600 H   0  0  0  0  0
   -1.7579   -0.4794    0.2859 H   0  0  0  0  0
   -2.3941    0.6693   -0.8843 H   0  0  0  0  0
   -3.4744   -1.4948    1.5523 H   0  0  0  0  0
   -5.5409   -1.3978    2.7918 H   0  0  0  0  0
   -5.9988    2.7418    1.6655 H   0  0  0  0  0
   -3.9279    2.6450    0.4650 H   0  0  0  0  0
   -7.3491    2.8789    3.2135 H   0  0  0  0  0
   -8.5464    1.9869    4.0978 H   0  0  0  0  0
   -9.5572    2.9521    2.0462 H   0  0  0  0  0
   -8.4023    2.0852    1.0347 H   0  0  0  0  0
  -10.5487    0.8711    2.8325 H   0  0  0  0  0
  -10.4825    0.8122    1.0729 H   0  0  0  0  0
   -9.7480   -1.3313    2.1955 H   0  0  0  0  0
   -8.5333   -0.6489    1.1134 H   0  0  0  0  0
   -8.5995   -0.3932    4.1647 H   0  0  0  0  0
   -7.5059   -1.3990    3.2610 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  7  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4 13  1  0  0  0
  5  6  1  0  0  0
  5 35  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 36  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  2  0  0  0
 10 37  1  0  0  0
 11 38  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 39  1  0  0  0
 16 17  1  0  0  0
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 16 41  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 18 23  1  0  0  0
 19 20  1  0  0  0
 19 44  1  0  0  0
 20 21  2  0  0  0
 20 45  1  0  0  0
 21 22  1  0  0  0
 21 24  1  0  0  0
 22 23  2  0  0  0
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 23 47  1  0  0  0
 24 29  1  0  0  0
 24 25  1  0  0  0
 25 26  1  0  0  0
 25 48  1  0  0  0
 25 49  1  0  0  0
 26 27  1  0  0  0
 26 50  1  0  0  0
 26 51  1  0  0  0
 27 28  1  0  0  0
 27 52  1  0  0  0
 27 53  1  0  0  0
 28 29  1  0  0  0
 28 54  1  0  0  0
 28 55  1  0  0  0
 29 56  1  0  0  0
 29 57  1  0  0  0
M  END

>  <Chemical Name>
Org 27569

>  <PubChem CID>
44828492

>  <Formula>
C24H28ClN3O

>  <Molecular Weight>
409.958000

>  <IUPAC Name>
5-chloro-3-ethyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]-1H-indole-2-carboxamide

>  <XlogP>
6.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCC1=C(NC2=C1C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)N4CCCCC4

>  <Isomeric SMILES>
CCC1=C(NC2=C1C=C(C=C2)Cl)C(=O)NCCC3=CC=C(C=C3)N4CCCCC4

>  <InChI Std. ID>
InChI=1S/C24H28ClN3O/c1-2-20-21-16-18(25)8-11-22(21)27-23(20)24(29)26-13-12-17-6-9-19(10-7-17)28-14-4-3-5-15-28/h6-11,16,27H,2-5,12-15H2,1H3,(H,26,29)

>  <InChI Key>
AHFZDNYNXFMRFQ-UHFFFAOYSA-N

