
 CHEMBL266039

 56 60  0  0  0  0  0  0  0  0999 V2000
    1.1840   -0.6891   -0.3262 C   0  0  0  0  0
    2.6662   -0.4272   -0.0053 C   0  0  0  0  0
    3.0676    0.9896   -0.0929 N   0  0  0  0  0
    4.0506    1.3042    0.9548 C   0  0  0  0  0
    4.6541    2.7162    0.7971 C   0  0  0  0  0
    3.5526    3.7534    0.6538 C   0  0  0  0  0
    3.8366    5.1057    0.9143 C   0  0  0  0  0
    2.8565    6.0809    0.7487 C   0  0  0  0  0
    1.5884    5.7193    0.3080 C   0  0  0  0  0
    1.2965    4.3795    0.0429 C   0  0  0  0  0
    2.2646    3.3745    0.2251 C   0  0  0  0  0
    1.9071    1.9151   -0.0706 C   0  0  0  0  0
    0.7154    1.4124    0.8192 C   0  0  0  0  0
    0.3157   -0.0056    0.6468 N   0  0  0  0  0
   -1.1015   -0.1762    0.2940 C   0  0  0  0  0
   -2.0511    0.1941    1.4465 C   0  0  0  0  0
   -3.4939   -0.0453    1.0688 C   0  0  0  0  0
   -4.0994   -1.2818    1.3273 C   0  0  0  0  0
   -5.4255   -1.5109    0.9564 C   0  0  0  0  0
   -6.1555   -0.5083    0.3208 C   0  0  0  0  0
   -5.5611    0.7233    0.0542 C   0  0  0  0  0
   -4.2348    0.9548    0.4243 C   0  0  0  0  0
    5.7026    2.7553   -0.3138 C   0  0  0  0  0
    5.3574    2.9704   -1.6581 C   0  0  0  0  0
    6.3328    2.9679   -2.6574 C   0  0  0  0  0
    7.6664    2.7378   -2.3299 C   0  0  0  0  0
    8.0257    2.5108   -1.0037 C   0  0  0  0  0
    7.0518    2.5191   -0.0025 C   0  0  0  0  0
    1.0077   -1.7706   -0.2738 H   0  0  0  0  0
    0.9607   -0.3737   -1.3541 H   0  0  0  0  0
    3.2905   -1.0012   -0.7000 H   0  0  0  0  0
    2.8628   -0.8324    0.9972 H   0  0  0  0  0
    4.8618    0.5646    0.9385 H   0  0  0  0  0
    3.5739    1.2272    1.9423 H   0  0  0  0  0
    5.1666    2.9420    1.7441 H   0  0  0  0  0
    4.8332    5.4024    1.2345 H   0  0  0  0  0
    3.0879    7.1240    0.9488 H   0  0  0  0  0
    0.8267    6.4806    0.1621 H   0  0  0  0  0
    0.3023    4.1293   -0.3206 H   0  0  0  0  0
    1.5408    1.9261   -1.1084 H   0  0  0  0  0
   -0.1425    2.0716    0.6456 H   0  0  0  0  0
    0.9839    1.5428    1.8757 H   0  0  0  0  0
   -1.2812   -1.2314    0.0443 H   0  0  0  0  0
   -1.3456    0.4001   -0.6093 H   0  0  0  0  0
   -1.9328    1.2440    1.7387 H   0  0  0  0  0
   -1.8059   -0.3956    2.3392 H   0  0  0  0  0
   -3.5404   -2.0750    1.8191 H   0  0  0  0  0
   -5.8881   -2.4722    1.1630 H   0  0  0  0  0
   -7.1879   -0.6874    0.0326 H   0  0  0  0  0
   -6.1296    1.5048   -0.4429 H   0  0  0  0  0
   -3.7835    1.9198    0.2070 H   0  0  0  0  0
    4.3202    3.1337   -1.9412 H   0  0  0  0  0
    6.0458    3.1384   -3.6907 H   0  0  0  0  0
    8.4225    2.7293   -3.1090 H   0  0  0  0  0
    9.0651    2.3217   -0.7487 H   0  0  0  0  0
    7.3540    2.3301    1.0259 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  2  3  1  0  0  0
  2 31  1  0  0  0
  2 32  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 33  1  0  0  0
  4 34  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 35  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  8  9  2  0  0  0
  8 37  1  0  0  0
  9 10  1  0  0  0
  9 38  1  0  0  0
 10 11  2  0  0  0
 10 39  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 40  1  0  0  0
 13 14  1  0  0  0
 13 41  1  0  0  0
 13 42  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 15 44  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 16 46  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
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 19 20  2  0  0  0
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 20 21  1  0  0  0
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 21 22  2  0  0  0
 21 50  1  0  0  0
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 23 24  2  0  0  0
 23 28  1  0  0  0
 24 25  1  0  0  0
 24 52  1  0  0  0
 25 26  2  0  0  0
 25 53  1  0  0  0
 26 27  1  0  0  0
 26 54  1  0  0  0
 27 28  2  0  0  0
 27 55  1  0  0  0
 28 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL266039

>  <PubChem CID>
13457923

>  <Formula>
C26H28N2

>  <Molecular Weight>
368.524000

>  <IUPAC Name>
7-phenyl-2-(2-phenylethyl)-1,3,4,6,7,11b-hexahydropyrazino[2,1-a]isoquinoline

>  <XlogP>
5.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CN2CC(C3=CC=CC=C3C2CN1CCC4=CC=CC=C4)C5=CC=CC=C5

>  <Isomeric SMILES>
C1CN2CC(C3=CC=CC=C3C2CN1CCC4=CC=CC=C4)C5=CC=CC=C5

>  <InChI Std. ID>
InChI=1S/C26H28N2/c1-3-9-21(10-4-1)15-16-27-17-18-28-19-25(22-11-5-2-6-12-22)23-13-7-8-14-24(23)26(28)20-27/h1-14,25-26H,15-20H2

>  <InChI Key>
ZTNUFLBDJULOLU-UHFFFAOYSA-N

