
 SCHEMBL601645

 53 56  0  0  0  0  0  0  0  0999 V2000
    4.9435    3.9264    4.9701 C   0  0  0  0  0
    4.4379    3.0539    3.8330 C   0  0  0  0  0
    4.9942    3.5127    2.4843 C   0  0  0  0  0
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    6.5249    2.9523   -0.1052 N   0  0  0  0  0
    7.3369    4.0683   -0.1987 C   0  0  0  0  0
    7.0330    5.4400   -0.2611 C   0  0  0  0  0
    8.0901    6.3520   -0.3401 C   0  0  0  0  0
    9.4102    5.9171   -0.3542 C   0  0  0  0  0
    9.7059    4.5528   -0.2889 C   0  0  0  0  0
    8.6573    3.6111   -0.2100 C   0  0  0  0  0
    8.6238    2.1865   -0.1208 C   0  0  0  0  0
    9.6161    1.1963   -0.0695 C   0  0  0  0  0
    9.1785   -0.1152    0.0609 C   0  0  0  0  0
    7.8746   -0.4932    0.0800 N   0  0  0  0  0
    6.9189    0.4556   -0.0042 C   0  0  0  0  0
    7.2856    1.7975   -0.0770 C   0  0  0  0  0
   10.2077   -1.1977    0.1578 C   0  0  0  0  0
   11.2086   -1.1077   -0.5564 O   0  0  0  0  0
   10.0091   -2.2642    1.0520 N   0  0  0  0  0
    9.2672   -2.0949    2.3043 C   0  0  0  0  0
    8.6856   -3.4125    2.8058 C   0  0  0  0  0
    9.7608   -4.4908    2.8952 C   0  0  0  0  0
   10.4716   -4.6436    1.5547 C   0  0  0  0  0
   11.0265   -3.3102    1.0616 C   0  0  0  0  0
    4.5445    3.5719    5.9256 H   0  0  0  0  0
    4.6316    4.9666    4.8349 H   0  0  0  0  0
    6.0365    3.8995    5.0287 H   0  0  0  0  0
    3.3423    3.0805    3.8142 H   0  0  0  0  0
    4.7340    2.0152    4.0223 H   0  0  0  0  0
    6.0889    3.5078    2.5347 H   0  0  0  0  0
    4.6816    4.5442    2.2834 H   0  0  0  0  0
    3.4187    2.6333    1.3030 H   0  0  0  0  0
    4.7802    1.5635    1.5921 H   0  0  0  0  0
    4.7190    3.9756   -0.3090 H   0  0  0  0  0
    4.6976    2.2865   -0.7846 H   0  0  0  0  0
    6.0100    5.8020   -0.2474 H   0  0  0  0  0
    7.8753    7.4172   -0.3903 H   0  0  0  0  0
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   10.7407    4.2216   -0.2988 H   0  0  0  0  0
   10.6718    1.4377   -0.1053 H   0  0  0  0  0
    5.8918    0.1115    0.0100 H   0  0  0  0  0
    8.4689   -1.3568    2.2190 H   0  0  0  0  0
    9.9768   -1.6928    3.0393 H   0  0  0  0  0
    8.2238   -3.2652    3.7881 H   0  0  0  0  0
    7.8954   -3.7452    2.1218 H   0  0  0  0  0
   10.4886   -4.2239    3.6712 H   0  0  0  0  0
    9.3090   -5.4444    3.1893 H   0  0  0  0  0
   11.2828   -5.3749    1.6422 H   0  0  0  0  0
    9.7614   -5.0354    0.8158 H   0  0  0  0  0
   11.8445   -2.9702    1.7084 H   0  0  0  0  0
   11.4381   -3.4421    0.0552 H   0  0  0  0  0
  1  2  1  0  0  0
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  4  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6 18  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
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  9 10  2  0  0  0
  9 39  1  0  0  0
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M  END

>  <Chemical Name>
SCHEMBL601645

>  <PubChem CID>
56651698

>  <Formula>
C22H27N3O

>  <Molecular Weight>
349.478000

>  <IUPAC Name>
(9-pentylpyrido[3,4-b]indol-3-yl)-piperidin-1-ylmethanone

>  <XlogP>
4.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCCCN1C2=CC=CC=C2C3=CC(=NC=C31)C(=O)N4CCCCC4

>  <Isomeric SMILES>
CCCCCN1C2=CC=CC=C2C3=CC(=NC=C31)C(=O)N4CCCCC4

>  <InChI Std. ID>
InChI=1S/C22H27N3O/c1-2-3-7-14-25-20-11-6-5-10-17(20)18-15-19(23-16-21(18)25)22(26)24-12-8-4-9-13-24/h5-6,10-11,15-16H,2-4,7-9,12-14H2,1H3

>  <InChI Key>
ALRMJMSWQTWMRV-UHFFFAOYSA-N

