
 CHEMBL328107

 40 43  0  0  0  0  0  0  0  0999 V2000
    1.6645    3.4891    2.0300 C   0  0  0  0  0
    2.8483    2.8469    1.3168 C   0  0  0  0  0
    4.1193    3.6885    1.4967 C   0  0  0  0  0
    5.2865    3.1194    0.8204 N   0  0  0  0  0
    5.1172    3.0694   -0.6404 C   0  0  0  0  0
    6.5318    3.0211   -1.1753 C   0  0  0  0  0
    7.2683    4.0248   -0.2966 C   0  0  0  0  0
    6.5972    3.7742    1.0860 C   0  0  0  0  0
    6.6532    4.9624    2.0685 C   0  0  0  0  0
    7.7828    5.9278    1.7270 C   0  0  0  0  0
    7.5327    6.4463    0.3298 C   0  0  0  0  0
    7.2353    5.4946   -0.6827 C   0  0  0  0  0
    7.0098    6.0397   -1.9535 C   0  0  0  0  0
    7.0277    7.4036   -2.2418 C   0  0  0  0  0
    7.3066    8.3155   -1.2116 C   0  0  0  0  0
    7.5681    7.8221    0.0695 C   0  0  0  0  0
    6.7352    7.5209   -3.6274 C   0  0  0  0  0
    6.5738    6.2408   -4.0977 C   0  0  0  0  0
    6.7401    5.3430   -3.0956 O   0  0  0  0  0
    0.7718    2.8684    1.9147 H   0  0  0  0  0
    1.4491    4.4764    1.6110 H   0  0  0  0  0
    1.8658    3.6049    3.0991 H   0  0  0  0  0
    2.5941    2.7428    0.2561 H   0  0  0  0  0
    3.0098    1.8385    1.7159 H   0  0  0  0  0
    4.3192    3.7434    2.5738 H   0  0  0  0  0
    3.9239    4.7079    1.1402 H   0  0  0  0  0
    4.6076    3.9627   -1.0218 H   0  0  0  0  0
    4.5539    2.1837   -0.9491 H   0  0  0  0  0
    6.5840    3.2018   -2.2486 H   0  0  0  0  0
    6.9489    2.0183   -1.0065 H   0  0  0  0  0
    8.3285    3.7403   -0.2564 H   0  0  0  0  0
    7.1944    2.9787    1.5567 H   0  0  0  0  0
    6.7717    4.5880    3.0926 H   0  0  0  0  0
    5.7238    5.5416    2.0573 H   0  0  0  0  0
    8.7610    5.4345    1.7717 H   0  0  0  0  0
    7.7922    6.7484    2.4535 H   0  0  0  0  0
    7.3250    9.3843   -1.4034 H   0  0  0  0  0
    7.7869    8.5260    0.8691 H   0  0  0  0  0
    6.6593    8.4284   -4.2089 H   0  0  0  0  0
    6.3498    5.8210   -5.0680 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  1  0  0  0
  3 25  1  0  0  0
  3 26  1  0  0  0
  4  5  1  0  0  0
  4  8  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  5 28  1  0  0  0
  6  7  1  0  0  0
  6 29  1  0  0  0
  6 30  1  0  0  0
  7  8  1  0  0  0
  7 12  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 19  1  0  0  0
 14 15  1  0  0  0
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 15 16  2  0  0  0
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 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL328107

>  <PubChem CID>
44326324

>  <Formula>
C17H21NO

>  <Molecular Weight>
255.361000

>  <IUPAC Name>


>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCCN1CCC2C1CCC3=C2C4=C(C=C3)C=CO4

>  <Isomeric SMILES>
CCCN1CC[C@@H]2[C@H]1CCC3=C2C4=C(C=C3)C=CO4

>  <InChI Std. ID>
InChI=1S/C17H21NO/c1-2-9-18-10-7-14-15(18)6-5-12-3-4-13-8-11-19-17(13)16(12)14/h3-4,8,11,14-15H,2,5-7,9-10H2,1H3/t14-,15-/m1/s1

>  <InChI Key>
ASNREPVWGRJPSG-HUUCEWRRSA-N

