
 SCHEMBL17043222

 56 59  0  0  0  0  0  0  0  0999 V2000
   -0.2010    1.7829   -2.8124 C   0  0  0  0  0
    0.5799    1.0848   -1.6867 C   0  0  0  0  0
    0.9937   -0.3339   -2.1035 C   0  0  0  0  0
    2.0342   -0.3303   -3.2153 C   0  0  0  0  0
    3.2438    0.5275   -2.8477 C   0  0  0  0  0
    2.8724    1.8913   -2.2245 C   0  0  0  0  0
    1.7424    1.8816   -1.2677 N   0  0  0  0  0
    1.7706    2.8533   -0.2543 C   0  0  0  0  0
    2.7798    3.5428   -0.0833 O   0  0  0  0  0
    0.5839    3.1309    0.6290 C   0  0  0  0  0
    0.6170    3.6449    1.8859 C   0  0  0  0  0
   -0.7798    4.0015    2.3561 C   0  0  0  0  0
   -1.5589    4.0811    1.0622 C   0  0  0  0  0
   -0.8369    3.1215    0.1365 C   0  0  0  0  0
    1.7033    3.9758    2.8303 C   0  0  0  0  0
    2.9195    3.3091    2.8942 C   0  0  0  0  0
    3.8407    3.6655    3.8838 C   0  0  0  0  0
    3.5246    4.6653    4.7944 C   0  0  0  0  0
    2.2934    5.2744    4.6753 C   0  0  0  0  0
    1.3896    4.9483    3.7283 N   0  0  0  0  0
    4.0300   -0.2286   -1.9112 O   0  0  0  0  0
    5.3971   -0.1261   -2.0681 C   0  0  0  0  0
    5.8840    0.2852   -3.2600 N   0  0  0  0  0
    7.2204    0.3453   -3.4068 C   0  0  0  0  0
    8.1067    0.0086   -2.4071 C   0  0  0  0  0
    7.5882   -0.4237   -1.1854 C   0  0  0  0  0
    6.1976   -0.5063   -0.9953 C   0  0  0  0  0
    5.6106   -0.9961    0.2977 C   0  0  0  0  0
    8.5072   -0.7751   -0.1426 C   0  0  0  0  0
    9.2595   -1.0554    0.6974 N   0  0  0  0  0
   -0.2605    2.8640   -2.6688 H   0  0  0  0  0
   -1.2179    1.3826   -2.8745 H   0  0  0  0  0
    0.2639    1.6518   -3.7931 H   0  0  0  0  0
   -0.0718    0.9515   -0.8257 H   0  0  0  0  0
    0.1131   -0.9010   -2.4293 H   0  0  0  0  0
    1.4037   -0.8608   -1.2325 H   0  0  0  0  0
    2.3485   -1.3632   -3.4100 H   0  0  0  0  0
    1.5914    0.0377   -4.1471 H   0  0  0  0  0
    3.7798    0.7108   -3.7855 H   0  0  0  0  0
    3.7623    2.3139   -1.7459 H   0  0  0  0  0
    2.5788    2.5820   -3.0243 H   0  0  0  0  0
   -1.1679    3.2158    3.0142 H   0  0  0  0  0
   -0.8576    4.9634    2.8720 H   0  0  0  0  0
   -1.5138    5.0996    0.6541 H   0  0  0  0  0
   -2.6148    3.8242    1.1913 H   0  0  0  0  0
   -0.9434    3.4868   -0.8819 H   0  0  0  0  0
   -1.2892    2.1307    0.2364 H   0  0  0  0  0
    3.1654    2.5170    2.1972 H   0  0  0  0  0
    4.8005    3.1607    3.9421 H   0  0  0  0  0
    4.2155    4.9609    5.5751 H   0  0  0  0  0
    1.9844    6.0610    5.3576 H   0  0  0  0  0
    7.5671    0.6803   -4.3809 H   0  0  0  0  0
    9.1768    0.0802   -2.5798 H   0  0  0  0  0
    4.5214   -0.8991    0.3310 H   0  0  0  0  0
    6.0045   -0.4176    1.1393 H   0  0  0  0  0
    5.8517   -2.0548    0.4400 H   0  0  0  0  0
  1  2  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  1 33  1  0  0  0
  2  7  1  0  0  0
  2  3  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 35  1  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4 37  1  0  0  0
  4 38  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  5 39  1  0  0  0
  6  7  1  0  0  0
  6 40  1  0  0  0
  6 41  1  0  0  0
  7  8  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 15  1  0  0  0
 12 13  1  0  0  0
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 13 14  1  0  0  0
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 14 46  1  0  0  0
 14 47  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 48  1  0  0  0
 17 18  2  0  0  0
 17 49  1  0  0  0
 18 19  1  0  0  0
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 19 20  2  0  0  0
 19 51  1  0  0  0
 21 22  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 24 25  2  0  0  0
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 26 27  2  0  0  0
 26 29  1  0  0  0
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 28 56  1  0  0  0
 29 30  3  0  0  0
M  END

>  <Chemical Name>
SCHEMBL17043222

>  <PubChem CID>
74221627

>  <Formula>
C24H26N4O2

>  <Molecular Weight>
402.498000

>  <IUPAC Name>
3-methyl-2-[(3R,6R)-6-methyl-1-(2-pyridin-2-ylcyclopentene-1-carbonyl)piperidin-3-yl]oxypyridine-4-carbonitrile

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1CCC(CN1C(=O)C2=C(CCC2)C3=CC=CC=N3)OC4=NC=CC(=C4C)C#N

>  <Isomeric SMILES>
C[C@@H]1CC[C@H](CN1C(=O)C2=C(CCC2)C3=CC=CC=N3)OC4=NC=CC(=C4C)C#N

>  <InChI Std. ID>
InChI=1S/C24H26N4O2/c1-16-9-10-19(30-23-17(2)18(14-25)11-13-27-23)15-28(16)24(29)21-7-5-6-20(21)22-8-3-4-12-26-22/h3-4,8,11-13,16,19H,5-7,9-10,15H2,1-2H3/t16-,19-/m1/s1

>  <InChI Key>
ABJRCTKEAAWJIC-VQIMIIECSA-N

