
 CHEMBL348538

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.2477    0.5020    0.6683 C   0  0  0  0  0
    2.0392    1.1574   -0.6924 C   0  0  0  0  0
    3.2626    0.9714   -1.6016 C   0  0  0  0  0
    4.5620    1.0783   -0.9267 N   0  0  0  0  0
    5.2443   -0.2174   -0.7995 C   0  0  0  0  0
    6.5824   -0.1758   -0.0238 C   0  0  0  0  0
    6.8541    1.0957    0.7344 C   0  0  0  0  0
    5.8301    2.0137    0.9789 C   0  0  0  0  0
    4.4554    1.7608    0.3809 C   0  0  0  0  0
    3.5204    1.0138    1.3561 C   0  0  0  0  0
    6.0243    3.1731    1.6621 N   0  0  0  0  0
    7.2816    3.4417    2.0708 C   0  0  0  0  0
    8.3614    2.6026    1.8575 C   0  0  0  0  0
    8.1367    1.3996    1.1936 C   0  0  0  0  0
    2.3175   -0.5842    0.5335 H   0  0  0  0  0
    1.3768    0.6771    1.3105 H   0  0  0  0  0
    1.1531    0.7395   -1.1808 H   0  0  0  0  0
    1.8427    2.2274   -0.5511 H   0  0  0  0  0
    3.2254    1.7462   -2.3754 H   0  0  0  0  0
    3.1754    0.0203   -2.1390 H   0  0  0  0  0
    5.4533   -0.6114   -1.8021 H   0  0  0  0  0
    4.5913   -0.9590   -0.3236 H   0  0  0  0  0
    7.4003   -0.3400   -0.7349 H   0  0  0  0  0
    6.5965   -1.0064    0.6908 H   0  0  0  0  0
    4.0294    2.7576    0.1943 H   0  0  0  0  0
    4.0298    0.1653    1.8327 H   0  0  0  0  0
    3.2426    1.6883    2.1738 H   0  0  0  0  0
    7.4073    4.3923    2.5818 H   0  0  0  0  0
    9.3538    2.8797    2.1932 H   0  0  0  0  0
    8.9664    0.7228    1.0100 H   0  0  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7 14  1  0  0  0
  7  8  2  0  0  0
  8 11  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
 10 26  1  0  0  0
 10 27  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 13 14  2  0  0  0
 13 29  1  0  0  0
 14 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL348538

>  <PubChem CID>
14004032

>  <Formula>
C12H16N2

>  <Molecular Weight>
188.274000

>  <IUPAC Name>
6,8,9,10,11,11a-hexahydro-5H-pyrido[1,2-h][1,7]naphthyridine

>  <XlogP>
1.6

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCN2CCC3=C(C2C1)N=CC=C3

>  <Isomeric SMILES>
C1CCN2CCC3=C(C2C1)N=CC=C3

>  <InChI Std. ID>
InChI=1S/C12H16N2/c1-2-8-14-9-6-10-4-3-7-13-12(10)11(14)5-1/h3-4,7,11H,1-2,5-6,8-9H2

>  <InChI Key>
JWBLYAGFFUSJCB-UHFFFAOYSA-N

