
 donepezil

 57 60  0  0  0  0  0  0  0  0999 V2000
    4.1022    6.5785   -5.6693 C   0  0  0  0  0
    5.2574    5.7912   -5.4135 O   0  0  0  0  0
    5.1866    4.8210   -4.4432 C   0  0  0  0  0
    4.0738    4.4846   -3.6282 C   0  0  0  0  0
    4.1862    3.4370   -2.7087 C   0  0  0  0  0
    5.3948    2.7759   -2.6157 C   0  0  0  0  0
    6.5033    3.0964   -3.3761 C   0  0  0  0  0
    6.4077    4.1251   -4.2985 C   0  0  0  0  0
    7.6870    2.2448   -3.0365 C   0  0  0  0  0
    7.1288    1.1840   -2.0540 C   0  0  0  0  0
    5.7213    1.6463   -1.7692 C   0  0  0  0  0
    4.9292    1.1480   -0.9837 O   0  0  0  0  0
    7.9206    1.0306   -0.7477 C   0  0  0  0  0
    9.3804    0.5671   -0.9451 C   0  0  0  0  0
   10.1503    0.5021    0.3859 C   0  0  0  0  0
    9.8048   -0.7350    1.2268 C   0  0  0  0  0
    9.8945   -2.0161    0.5079 N   0  0  0  0  0
    9.1147   -1.9597   -0.7352 C   0  0  0  0  0
    9.4938   -0.7912   -1.6513 C   0  0  0  0  0
   11.2853   -2.4638    0.3224 C   0  0  0  0  0
   11.4147   -3.9053   -0.1430 C   0  0  0  0  0
   11.2908   -4.9666    0.7669 C   0  0  0  0  0
   11.4116   -6.2922    0.3388 C   0  0  0  0  0
   11.6572   -6.5745   -1.0037 C   0  0  0  0  0
   11.7784   -5.5318   -1.9198 C   0  0  0  0  0
   11.6561   -4.2066   -1.4932 C   0  0  0  0  0
    2.8904    5.1531   -3.8068 O   0  0  0  0  0
    2.0099    5.2262   -2.6911 C   0  0  0  0  0
    4.3374    7.2661   -6.4869 H   0  0  0  0  0
    3.8415    7.1887   -4.7980 H   0  0  0  0  0
    3.2633    5.9610   -6.0083 H   0  0  0  0  0
    3.3643    3.1017   -2.0884 H   0  0  0  0  0
    7.2600    4.3977   -4.9164 H   0  0  0  0  0
    8.4659    2.8633   -2.5789 H   0  0  0  0  0
    8.0940    1.7599   -3.9308 H   0  0  0  0  0
    7.0289    0.2230   -2.5716 H   0  0  0  0  0
    7.3865    0.3331   -0.0899 H   0  0  0  0  0
    7.9145    1.9914   -0.2134 H   0  0  0  0  0
    9.8778    1.3201   -1.5699 H   0  0  0  0  0
    9.9661    1.4090    0.9752 H   0  0  0  0  0
   11.2253    0.4949    0.1664 H   0  0  0  0  0
   10.4400   -0.7546    2.1215 H   0  0  0  0  0
    8.7816   -0.6285    1.6088 H   0  0  0  0  0
    9.1876   -2.8984   -1.2932 H   0  0  0  0  0
    8.0529   -1.8830   -0.4693 H   0  0  0  0  0
   10.5239   -0.9169   -2.0044 H   0  0  0  0  0
    8.8752   -0.8230   -2.5533 H   0  0  0  0  0
   11.8146   -2.4034    1.2835 H   0  0  0  0  0
   11.8432   -1.8070   -0.3557 H   0  0  0  0  0
   11.0977   -4.7627    1.8179 H   0  0  0  0  0
   11.3102   -7.1052    1.0529 H   0  0  0  0  0
   11.7491   -7.6056   -1.3356 H   0  0  0  0  0
   11.9643   -5.7512   -2.9678 H   0  0  0  0  0
   11.7405   -3.4069   -2.2247 H   0  0  0  0  0
    1.1792    5.8811   -2.9698 H   0  0  0  0  0
    2.5117    5.6678   -1.8232 H   0  0  0  0  0
    1.5825    4.2489   -2.4495 H   0  0  0  0  0
  1  2  1  0  0  0
  1 29  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  2  3  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 27  1  0  0  0
  5  6  2  0  0  0
  5 32  1  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 13  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 15 16  1  0  0  0
 15 40  1  0  0  0
 15 41  1  0  0  0
 16 17  1  0  0  0
 16 42  1  0  0  0
 16 43  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 19 46  1  0  0  0
 19 47  1  0  0  0
 20 21  1  0  0  0
 20 48  1  0  0  0
 20 49  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 50  1  0  0  0
 23 24  2  0  0  0
 23 51  1  0  0  0
 24 25  1  0  0  0
 24 52  1  0  0  0
 25 26  2  0  0  0
 25 53  1  0  0  0
 26 54  1  0  0  0
 27 28  1  0  0  0
 28 55  1  0  0  0
 28 56  1  0  0  0
 28 57  1  0  0  0
M  END

>  <Chemical Name>
donepezil

>  <PubChem CID>
3152

>  <Formula>
C24H29NO3

>  <Molecular Weight>
379.500000

>  <IUPAC Name>
2-[(1-benzylpiperidin-4-yl)methyl]-5,6-dimethoxy-2,3-dihydroinden-1-one

>  <XlogP>
4.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC

>  <Isomeric SMILES>
COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC

>  <InChI Std. ID>
InChI=1S/C24H29NO3/c1-27-22-14-19-13-20(24(26)21(19)15-23(22)28-2)12-17-8-10-25(11-9-17)16-18-6-4-3-5-7-18/h3-7,14-15,17,20H,8-13,16H2,1-2H3

>  <InChI Key>
ADEBPBSSDYVVLD-UHFFFAOYSA-N

