
 CHEMBL6459

 43 46  0  0  0  0  0  0  0  0999 V2000
    1.3514    0.6612   -1.0311 C   0  0  0  0  0
    2.6510    1.1236   -0.5650 N   0  0  0  0  0
    3.0248    0.5318    0.7219 C   0  0  0  0  0
    4.4421    0.9656    1.1848 C   0  0  0  0  0
    4.8906    2.2698    0.6650 N   0  0  0  0  0
    5.9783    2.8374    1.4625 C   0  0  0  0  0
    6.5835    4.1019    0.8061 C   0  0  0  0  0
    5.5028    5.0611    0.3247 C   0  0  0  0  0
    5.8474    6.3919    0.0242 C   0  0  0  0  0
    4.8797    7.3000   -0.3969 C   0  0  0  0  0
    3.5561    6.8933   -0.5139 C   0  0  0  0  0
    3.2009    5.5745   -0.2224 C   0  0  0  0  0
    4.1661    4.6312    0.1773 C   0  0  0  0  0
    3.7524    3.1998    0.5228 C   0  0  0  0  0
    2.7204    2.6024   -0.5049 C   0  0  0  0  0
    7.6071    3.7566   -0.2744 C   0  0  0  0  0
    7.2190    3.1989   -1.5039 C   0  0  0  0  0
    8.1697    2.8840   -2.4777 C   0  0  0  0  0
    9.5182    3.1205   -2.2291 C   0  0  0  0  0
    9.9251    3.6689   -1.0151 C   0  0  0  0  0
    8.9738    3.9853   -0.0417 C   0  0  0  0  0
   10.6914    2.7317   -3.4265 Cl  0  0  0  0  0
    0.5441    0.9283   -0.3391 H   0  0  0  0  0
    1.3511   -0.4278   -1.1533 H   0  0  0  0  0
    1.1196    1.0890   -2.0133 H   0  0  0  0  0
    3.0047   -0.5629    0.6591 H   0  0  0  0  0
    2.2965    0.8249    1.4900 H   0  0  0  0  0
    5.1657    0.2113    0.8512 H   0  0  0  0  0
    4.4493    0.9573    2.2829 H   0  0  0  0  0
    6.7701    2.0918    1.6105 H   0  0  0  0  0
    5.6004    3.0988    2.4608 H   0  0  0  0  0
    7.1149    4.6270    1.6137 H   0  0  0  0  0
    6.8798    6.7226    0.1162 H   0  0  0  0  0
    5.1587    8.3237   -0.6287 H   0  0  0  0  0
    2.7962    7.6025   -0.8325 H   0  0  0  0  0
    2.1536    5.2963   -0.3113 H   0  0  0  0  0
    3.2501    3.2681    1.5005 H   0  0  0  0  0
    1.7330    3.0102   -0.2492 H   0  0  0  0  0
    2.9618    2.9507   -1.5173 H   0  0  0  0  0
    6.1678    3.0027   -1.7104 H   0  0  0  0  0
    7.8472    2.4540   -3.4218 H   0  0  0  0  0
   10.9781    3.8514   -0.8199 H   0  0  0  0  0
    9.3095    4.4116    0.9010 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 15  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  6 30  1  0  0  0
  6 31  1  0  0  0
  7  8  1  0  0  0
  7 16  1  0  0  0
  7 32  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
 10 11  2  0  0  0
 10 34  1  0  0  0
 11 12  1  0  0  0
 11 35  1  0  0  0
 12 13  2  0  0  0
 12 36  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 37  1  0  0  0
 15 38  1  0  0  0
 15 39  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 40  1  0  0  0
 18 19  2  0  0  0
 18 41  1  0  0  0
 19 20  1  0  0  0
 19 22  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>
CHEMBL6459

>  <PubChem CID>
13457935

>  <Formula>
C19H21ClN2

>  <Molecular Weight>
312.841000

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

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

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

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

>  <InChI Std. ID>
InChI=1S/C19H21ClN2/c1-21-10-11-22-12-18(14-6-8-15(20)9-7-14)16-4-2-3-5-17(16)19(22)13-21/h2-9,18-19H,10-13H2,1H3

>  <InChI Key>
ZCOWQICYITYASE-UHFFFAOYSA-N

