
 LY 344864 racemate

 48 51  0  0  0  0  0  0  0  0999 V2000
    2.5035   -1.0371   -1.4198 C   0  0  0  0  0
    1.6867    0.0589   -0.8839 N   0  0  0  0  0
    0.8121   -0.4800    0.1636 C   0  0  0  0  0
    2.5276    1.1983   -0.4032 C   0  0  0  0  0
    1.6679    2.3514    0.2050 C   0  0  0  0  0
    2.5259    3.4886    0.7904 C   0  0  0  0  0
    3.5865    3.8588   -0.1732 C   0  0  0  0  0
    4.0264    3.0922   -1.2283 C   0  0  0  0  0
    3.4356    1.7588   -1.5536 C   0  0  0  0  0
    5.0342    3.8393   -1.9035 C   0  0  0  0  0
    5.1707    5.0489   -1.2205 C   0  0  0  0  0
    4.2906    5.0282   -0.1607 N   0  0  0  0  0
    6.0622    6.0434   -1.6286 C   0  0  0  0  0
    6.8333    5.8018   -2.7731 C   0  0  0  0  0
    6.7330    4.6054   -3.4830 C   0  0  0  0  0
    5.8343    3.6162   -3.0448 C   0  0  0  0  0
    7.4823    4.3167   -4.6471 N   0  0  0  0  0
    8.4062    5.1333   -5.2758 C   0  0  0  0  0
    8.7806    6.2391   -4.9046 O   0  0  0  0  0
    9.0191    4.5735   -6.5187 C   0  0  0  0  0
    8.3304    3.6937   -7.3684 C   0  0  0  0  0
    8.9543    3.2058   -8.5205 C   0  0  0  0  0
   10.2507    3.6073   -8.8267 C   0  0  0  0  0
   10.9379    4.4938   -8.0073 C   0  0  0  0  0
   10.3208    4.9811   -6.8539 C   0  0  0  0  0
   10.8408    3.1384   -9.9338 F   0  0  0  0  0
    3.0453   -0.7305   -2.3196 H   0  0  0  0  0
    1.8698   -1.8749   -1.7356 H   0  0  0  0  0
    3.2228   -1.4117   -0.6829 H   0  0  0  0  0
    0.2768   -1.3686   -0.1930 H   0  0  0  0  0
    0.0274    0.2323    0.4349 H   0  0  0  0  0
    1.3710   -0.7586    1.0642 H   0  0  0  0  0
    3.1886    0.8320    0.3963 H   0  0  0  0  0
    1.0281    1.9921    1.0172 H   0  0  0  0  0
    1.0056    2.7548   -0.5732 H   0  0  0  0  0
    2.9890    3.1540    1.7264 H   0  0  0  0  0
    1.8887    4.3490    1.0236 H   0  0  0  0  0
    2.8449    1.8640   -2.4730 H   0  0  0  0  0
    4.2519    1.0563   -1.7604 H   0  0  0  0  0
    4.1743    5.7814    0.5024 H   0  0  0  0  0
    6.1549    6.9821   -1.0908 H   0  0  0  0  0
    7.5143    6.5885   -3.0834 H   0  0  0  0  0
    5.7279    2.6786   -3.5802 H   0  0  0  0  0
    7.3429    3.3908   -5.0262 H   0  0  0  0  0
    7.3026    3.4031   -7.1715 H   0  0  0  0  0
    8.4343    2.5260   -9.1890 H   0  0  0  0  0
   11.9437    4.8050   -8.2712 H   0  0  0  0  0
   10.8549    5.6822   -6.2147 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4  9  1  0  0  0
  4 33  1  0  0  0
  5  6  1  0  0  0
  5 34  1  0  0  0
  5 35  1  0  0  0
  6  7  1  0  0  0
  6 36  1  0  0  0
  6 37  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 10  1  0  0  0
  9 38  1  0  0  0
  9 39  1  0  0  0
 10 11  2  0  0  0
 10 16  1  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 12 40  1  0  0  0
 13 14  2  0  0  0
 13 41  1  0  0  0
 14 15  1  0  0  0
 14 42  1  0  0  0
 15 16  2  0  0  0
 15 17  1  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 17 44  1  0  0  0
 18 20  1  0  0  0
 18 19  2  0  0  0
 20 21  2  0  0  0
 20 25  1  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 22 23  2  0  0  0
 22 46  1  0  0  0
 23 24  1  0  0  0
 23 26  1  0  0  0
 24 25  2  0  0  0
 24 47  1  0  0  0
 25 48  1  0  0  0
M  END

>  <Chemical Name>
LY 344864 racemate

>  <PubChem CID>
18971832

>  <Formula>
C21H22FN3O

>  <Molecular Weight>
351.425000

>  <IUPAC Name>
N-[6-(dimethylamino)-6,7,8,9-tetrahydro-5H-carbazol-3-yl]-4-fluorobenzamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)C1CCC2=C(C1)C3=C(N2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)F

>  <Isomeric SMILES>
CN(C)C1CCC2=C(C1)C3=C(N2)C=CC(=C3)NC(=O)C4=CC=C(C=C4)F

>  <InChI Std. ID>
InChI=1S/C21H22FN3O/c1-25(2)16-8-10-20-18(12-16)17-11-15(7-9-19(17)24-20)23-21(26)13-3-5-14(22)6-4-13/h3-7,9,11,16,24H,8,10,12H2,1-2H3,(H,23,26)

>  <InChI Key>
GKWHICIUSVVNGX-UHFFFAOYSA-N

