
 Atipamezole

 32 34  0  0  0  0  0  0  0  0999 V2000
    1.4306   -0.4385   -1.8102 C   0  0  0  0  0
    2.1151   -0.1960   -0.4673 C   0  0  0  0  0
    3.0646    1.0319   -0.4315 C   0  0  0  0  0
    2.2701    2.3382   -0.7655 C   0  0  0  0  0
    2.9091    3.3567    0.1305 C   0  0  0  0  0
    2.7917    4.7357    0.0675 C   0  0  0  0  0
    3.4464    5.5001    1.0356 C   0  0  0  0  0
    4.1930    4.8825    2.0503 C   0  0  0  0  0
    4.2958    3.4911    2.1110 C   0  0  0  0  0
    3.6522    2.7418    1.1400 C   0  0  0  0  0
    3.5894    1.2470    1.0290 C   0  0  0  0  0
    4.2604    0.8304   -1.3578 C   0  0  0  0  0
    4.9093   -0.3054   -1.8078 C   0  0  0  0  0
    5.9672    0.0103   -2.6175 N   0  0  0  0  0
    5.9965    1.3208   -2.6497 C   0  0  0  0  0
    5.0017    1.8626   -1.8900 N   0  0  0  0  0
    0.7598   -1.3011   -1.7335 H   0  0  0  0  0
    2.1514   -0.6520   -2.6048 H   0  0  0  0  0
    0.8274    0.4217   -2.1171 H   0  0  0  0  0
    2.6582   -1.1040   -0.1775 H   0  0  0  0  0
    1.3269   -0.0645    0.2854 H   0  0  0  0  0
    1.2141    2.2527   -0.4845 H   0  0  0  0  0
    2.3395    2.6217   -1.8204 H   0  0  0  0  0
    2.1998    5.2153   -0.7054 H   0  0  0  0  0
    3.3682    6.5846    1.0116 H   0  0  0  0  0
    4.6873    5.4928    2.8024 H   0  0  0  0  0
    4.8622    3.0135    2.9041 H   0  0  0  0  0
    2.8814    0.8705    1.7762 H   0  0  0  0  0
    4.5702    0.7902    1.1991 H   0  0  0  0  0
    4.6683   -1.3392   -1.5930 H   0  0  0  0  0
    6.7107    1.9264   -3.1923 H   0  0  0  0  0
    4.8512    2.8512   -1.7376 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3 11  1  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  4 23  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  7  8  2  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  9 10  2  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 13  2  0  0  0
 12 16  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 14 15  2  0  0  0
 15 16  1  0  0  0
 15 31  1  0  0  0
 16 32  1  0  0  0
M  END

>  <Chemical Name>
Atipamezole

>  <PubChem CID>
71310

>  <Formula>
C14H16N2

>  <Molecular Weight>
212.296000

>  <IUPAC Name>
5-(2-ethyl-1,3-dihydroinden-2-yl)-1H-imidazole

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCC1(CC2=CC=CC=C2C1)C3=CN=CN3

>  <Isomeric SMILES>
CCC1(CC2=CC=CC=C2C1)C3=CN=CN3

>  <InChI Std. ID>
InChI=1S/C14H16N2/c1-2-14(13-9-15-10-16-13)7-11-5-3-4-6-12(11)8-14/h3-6,9-10H,2,7-8H2,1H3,(H,15,16)

>  <InChI Key>
HSWPZIDYAHLZDD-UHFFFAOYSA-N

