
 CHEMBL6627

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.2982    0.6845   -1.0187 C   0  0  0  0  0
    2.6026    1.1372   -0.5568 N   0  0  0  0  0
    2.9749    0.5487    0.7329 C   0  0  0  0  0
    4.3969    0.9724    1.1912 C   0  0  0  0  0
    4.8540    2.2694    0.6646 N   0  0  0  0  0
    5.9512    2.8306    1.4533 C   0  0  0  0  0
    6.5655    4.0888    0.7917 C   0  0  0  0  0
    5.4909    5.0539    0.3079 C   0  0  0  0  0
    5.8462    6.3798   -0.0006 C   0  0  0  0  0
    4.8849    7.2949   -0.4218 C   0  0  0  0  0
    3.5571    6.8999   -0.5310 C   0  0  0  0  0
    3.1916    5.5859   -0.2324 C   0  0  0  0  0
    4.1501    4.6354    0.1677 C   0  0  0  0  0
    3.7252    3.2090    0.5201 C   0  0  0  0  0
    2.6872    2.6163   -0.5041 C   0  0  0  0  0
    7.5879    3.7324   -0.2838 C   0  0  0  0  0
    7.2016    3.1714   -1.5102 C   0  0  0  0  0
    8.1528    2.8456   -2.4787 C   0  0  0  0  0
    9.5054    3.0725   -2.2327 C   0  0  0  0  0
    9.9065    3.6247   -1.0187 C   0  0  0  0  0
    8.9559    3.9529   -0.0500 C   0  0  0  0  0
    0.4951    0.9625   -0.3271 H   0  0  0  0  0
    1.2885   -0.4046   -1.1351 H   0  0  0  0  0
    1.0700    1.1093   -2.0022 H   0  0  0  0  0
    2.9446   -0.5463    0.6750 H   0  0  0  0  0
    2.2499    0.8517    1.5008 H   0  0  0  0  0
    5.1125    0.2102    0.8599 H   0  0  0  0  0
    4.4052    0.9690    2.2890 H   0  0  0  0  0
    6.7373    2.0783    1.6009 H   0  0  0  0  0
    5.5804    3.0985    2.4531 H   0  0  0  0  0
    7.0989    4.6132    1.5989 H   0  0  0  0  0
    6.8827    6.7004    0.0841 H   0  0  0  0  0
    5.1730    8.3150   -0.6602 H   0  0  0  0  0
    2.8028    7.6142   -0.8498 H   0  0  0  0  0
    2.1417    5.3161   -0.3158 H   0  0  0  0  0
    3.2246    3.2860    1.4977 H   0  0  0  0  0
    1.7036    3.0344   -0.2506 H   0  0  0  0  0
    2.9315    2.9562   -1.5187 H   0  0  0  0  0
    6.1500    2.9807   -1.7192 H   0  0  0  0  0
    7.8344    2.4125   -3.4227 H   0  0  0  0  0
   10.2443    2.8167   -2.9867 H   0  0  0  0  0
   10.9617    3.7993   -0.8250 H   0  0  0  0  0
    9.2922    4.3814    0.8912 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 15  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 27  1  0  0  0
  4 28  1  0  0  0
  5  6  1  0  0  0
  5 14  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 16  1  0  0  0
  7 31  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
 10 11  2  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 34  1  0  0  0
 12 13  2  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  2  0  0  0
 18 40  1  0  0  0
 19 20  1  0  0  0
 19 41  1  0  0  0
 20 21  2  0  0  0
 20 42  1  0  0  0
 21 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL6627

>  <PubChem CID>
10468793

>  <Formula>
C19H22N2

>  <Molecular Weight>
278.399000

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

>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1CCN2CC(C3=CC=CC=C3C2C1)C4=CC=CC=C4

>  <Isomeric SMILES>
CN1CCN2CC(C3=CC=CC=C3C2C1)C4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C19H22N2/c1-20-11-12-21-13-18(15-7-3-2-4-8-15)16-9-5-6-10-17(16)19(21)14-20/h2-10,18-19H,11-14H2,1H3

>  <InChI Key>
JWDCLQHNIUCQJT-UHFFFAOYSA-N

