
 CHEMBL3798571

 40 43  0  0  0  0  0  0  0  0999 V2000
    1.4868   -0.5924    0.0600 C   0  0  0  0  0
    2.6472   -0.0883   -0.7897 C   0  0  0  0  0
    3.0955    1.3284   -0.3860 C   0  0  0  0  0
    3.8500    1.4144    0.9597 C   0  0  0  0  0
    4.3581    2.7800    1.1399 N   0  0  0  0  0
    3.4456    3.8223    0.9368 C   0  0  0  0  0
    3.7936    5.1150    1.3514 C   0  0  0  0  0
    2.9625    6.2056    1.0885 C   0  0  0  0  0
    1.7799    6.0217    0.3806 C   0  0  0  0  0
    1.4361    4.7491   -0.0714 C   0  0  0  0  0
    2.2694    3.6446    0.1887 C   0  0  0  0  0
    1.8727    2.2698   -0.3148 C   0  0  0  0  0
    0.7993    1.7184    0.5359 N   0  0  0  0  0
    0.3425    0.4150    0.0680 C   0  0  0  0  0
    5.0419    0.4696    1.0450 C   0  0  0  0  0
    6.1636    0.6321    0.2148 C   0  0  0  0  0
    7.2445   -0.2470    0.2958 C   0  0  0  0  0
    7.2187   -1.3007    1.2069 C   0  0  0  0  0
    6.1150   -1.4743    2.0393 C   0  0  0  0  0
    5.0334   -0.5945    1.9608 C   0  0  0  0  0
    1.1304   -1.5502   -0.3361 H   0  0  0  0  0
    1.8264   -0.7809    1.0856 H   0  0  0  0  0
    2.3218   -0.0610   -1.8383 H   0  0  0  0  0
    3.4770   -0.8011   -0.7523 H   0  0  0  0  0
    3.7626    1.6913   -1.1830 H   0  0  0  0  0
    3.1736    1.1904    1.7954 H   0  0  0  0  0
    4.8917    2.8884    1.9979 H   0  0  0  0  0
    4.7277    5.2810    1.8817 H   0  0  0  0  0
    3.2470    7.1976    1.4281 H   0  0  0  0  0
    1.1325    6.8687    0.1712 H   0  0  0  0  0
    0.5168    4.6180   -0.6369 H   0  0  0  0  0
    1.4843    2.3914   -1.3362 H   0  0  0  0  0
    0.0181    2.3723    0.5483 H   0  0  0  0  0
   -0.4478    0.0543    0.7355 H   0  0  0  0  0
   -0.0984    0.5026   -0.9324 H   0  0  0  0  0
    6.1984    1.4577   -0.4940 H   0  0  0  0  0
    8.1066   -0.1063   -0.3507 H   0  0  0  0  0
    8.0609   -1.9848    1.2700 H   0  0  0  0  0
    6.0959   -2.2954    2.7511 H   0  0  0  0  0
    4.1803   -0.7473    2.6185 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  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 12  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 15  1  0  0  0
  4 26  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8  9  2  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 11  2  0  0  0
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 13 33  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
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 19 39  1  0  0  0
 20 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3798571

>  <PubChem CID>
127046784

>  <Formula>
C18H20N2

>  <Molecular Weight>
264.372000

>  <IUPAC Name>
(4aR,5S,10bS)-5-phenyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[h][1,6]naphthyridine

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC2C(NC3=CC=CC=C3C2NC1)C4=CC=CC=C4

>  <Isomeric SMILES>
C1C[C@H]2[C@H](NC3=CC=CC=C3[C@H]2NC1)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C18H20N2/c1-2-7-13(8-3-1)17-15-10-6-12-19-18(15)14-9-4-5-11-16(14)20-17/h1-5,7-9,11,15,17-20H,6,10,12H2/t15-,17+,18+/m0/s1

>  <InChI Key>
QYMGXJPKXKHXDF-CGTJXYLNSA-N

