
 Asenapine

 36 39  0  0  0  0  0  0  0  0999 V2000
    0.9810   -0.1864   -0.8596 C   0  0  0  0  0
    2.1262    0.2231   -0.0788 N   0  0  0  0  0
    2.5694    1.6049   -0.3060 C   0  0  0  0  0
    4.1123    1.5669   -0.1703 C   0  0  0  0  0
    4.3680    0.2177    0.5460 C   0  0  0  0  0
    3.3126   -0.6259   -0.2029 C   0  0  0  0  0
    4.1837    0.2855    2.0576 C   0  0  0  0  0
    4.9048    1.2284    2.7995 C   0  0  0  0  0
    4.7225    1.3700    4.1793 C   0  0  0  0  0
    3.8149    0.5557    4.8513 C   0  0  0  0  0
    3.1224   -0.4191    4.1426 C   0  0  0  0  0
    3.3077   -0.5591    2.7656 C   0  0  0  0  0
    2.0301   -1.4653    4.9655 Cl  0  0  0  0  0
    5.9178    1.9502    2.2220 O   0  0  0  0  0
    5.5310    3.0002    1.4273 C   0  0  0  0  0
    6.1097    4.2352    1.7546 C   0  0  0  0  0
    5.8860    5.3565    0.9580 C   0  0  0  0  0
    5.0971    5.2419   -0.1783 C   0  0  0  0  0
    4.5235    4.0108   -0.5056 C   0  0  0  0  0
    4.7238    2.8655    0.2956 C   0  0  0  0  0
    0.1198    0.4497   -0.6258 H   0  0  0  0  0
    0.6926   -1.2117   -0.6008 H   0  0  0  0  0
    1.1693   -0.1387   -1.9361 H   0  0  0  0  0
    2.1095    2.2581    0.4445 H   0  0  0  0  0
    2.2940    1.9768   -1.3002 H   0  0  0  0  0
    4.5159    1.4253   -1.1879 H   0  0  0  0  0
    5.3764   -0.1602    0.3362 H   0  0  0  0  0
    3.5988   -0.7506   -1.2567 H   0  0  0  0  0
    3.1692   -1.6258    0.2158 H   0  0  0  0  0
    5.2945    2.1125    4.7295 H   0  0  0  0  0
    3.6641    0.6707    5.9195 H   0  0  0  0  0
    2.7332   -1.3269    2.2550 H   0  0  0  0  0
    6.7465    4.3170    2.6304 H   0  0  0  0  0
    6.3409    6.3089    1.2173 H   0  0  0  0  0
    4.9348    6.1052   -0.8198 H   0  0  0  0  0
    3.9306    3.9447   -1.4162 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 24  1  0  0  0
  3 25  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  4 26  1  0  0  0
  5  7  1  0  0  0
  5  6  1  0  0  0
  5 27  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8 14  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 12 32  1  0  0  0
 14 15  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 33  1  0  0  0
 17 18  2  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 18 35  1  0  0  0
 19 20  2  0  0  0
 19 36  1  0  0  0
M  END

>  <Chemical Name>
Asenapine

>  <PubChem CID>
9903970

>  <Formula>
C17H16ClNO

>  <Molecular Weight>
285.771000

>  <IUPAC Name>


>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24

>  <Isomeric SMILES>
CN1CC2C(C1)C3=C(C=CC(=C3)Cl)OC4=CC=CC=C24

>  <InChI Std. ID>
InChI=1S/C17H16ClNO/c1-19-9-14-12-4-2-3-5-16(12)20-17-7-6-11(18)8-13(17)15(14)10-19/h2-8,14-15H,9-10H2,1H3

>  <InChI Key>
VSWBSWWIRNCQIJ-UHFFFAOYSA-N

