
 AC1P9W8Y

 53 56  0  0  0  0  0  0  0  0999 V2000
    1.2637    6.7351    2.7860 C   0  0  0  0  0
    2.1935    6.3665    1.6223 C   0  0  0  0  0
    1.6517    5.1668    0.8147 C   0  0  0  0  0
    2.4936    4.0839    1.3722 C   0  0  0  0  0
    3.5193    4.6271    2.1326 C   0  0  0  0  0
    3.4853    6.0010    2.1860 O   0  0  0  0  0
    4.4797    3.8360    2.7471 C   0  0  0  0  0
    4.3762    2.4517    2.5723 C   0  0  0  0  0
    3.3403    1.8991    1.7957 C   0  0  0  0  0
    2.3900    2.7180    1.1853 C   0  0  0  0  0
    5.4249    4.4775    3.4968 O   0  0  0  0  0
    6.5707    3.7184    3.8496 C   0  0  0  0  0
    7.6198    4.5585    4.5832 C   0  0  0  0  0
    7.9192    4.2858    5.7499 O   0  0  0  0  0
    8.2791    5.5620    3.8749 N   0  0  0  0  0
    7.6687    6.2766    2.7465 C   0  0  0  0  0
    6.8901    7.5168    3.2481 C   0  0  0  0  0
    7.7699    8.3741    4.1012 N   0  0  0  0  0
    8.4431    7.6272    5.1986 C   0  0  0  0  0
    9.2024    6.4147    4.6282 C   0  0  0  0  0
    7.1492    9.5872    4.4554 C   0  0  0  0  0
    6.6995    9.8809    5.7504 C   0  0  0  0  0
    6.0924   11.1063    6.0378 C   0  0  0  0  0
    5.9281   12.0691    5.0475 C   0  0  0  0  0
    6.3723   11.8013    3.7566 C   0  0  0  0  0
    6.9727   10.5716    3.4677 C   0  0  0  0  0
    5.5375   11.4276    7.6366 Cl  0  0  0  0  0
    2.4033    7.5833    0.7198 C   0  0  0  0  0
    1.1335    5.8904    3.4720 H   0  0  0  0  0
    0.2764    7.0446    2.4283 H   0  0  0  0  0
    1.6912    7.5512    3.3795 H   0  0  0  0  0
    0.5824    4.9976    0.9743 H   0  0  0  0  0
    1.8467    5.2662   -0.2588 H   0  0  0  0  0
    5.0761    1.7636    3.0358 H   0  0  0  0  0
    3.2797    0.8197    1.6739 H   0  0  0  0  0
    1.5953    2.2898    0.5829 H   0  0  0  0  0
    7.0518    3.2847    2.9643 H   0  0  0  0  0
    6.2820    2.9132    4.5368 H   0  0  0  0  0
    7.0268    5.6236    2.1538 H   0  0  0  0  0
    8.4873    6.5964    2.0899 H   0  0  0  0  0
    6.5314    8.0704    2.3728 H   0  0  0  0  0
    6.0179    7.1981    3.8326 H   0  0  0  0  0
    9.1583    8.2802    5.7128 H   0  0  0  0  0
    7.7046    7.2683    5.9258 H   0  0  0  0  0
    9.9895    6.7438    3.9393 H   0  0  0  0  0
    9.6832    5.8532    5.4359 H   0  0  0  0  0
    6.7919    9.1553    6.5515 H   0  0  0  0  0
    5.4606   13.0226    5.2755 H   0  0  0  0  0
    6.2599   12.5471    2.9744 H   0  0  0  0  0
    7.3336   10.3873    2.4581 H   0  0  0  0  0
    3.1169    7.3566   -0.0806 H   0  0  0  0  0
    2.8292    8.4202    1.2845 H   0  0  0  0  0
    1.4631    7.9116    0.2645 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
  2  6  1  0  0  0
  2 28  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4 10  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 12 38  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 20  1  0  0  0
 15 16  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
 20 45  1  0  0  0
 20 46  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 47  1  0  0  0
 23 24  2  0  0  0
 23 27  1  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 25 26  2  0  0  0
 25 49  1  0  0  0
 26 50  1  0  0  0
 28 51  1  0  0  0
 28 52  1  0  0  0
 28 53  1  0  0  0
M  END

>  <Chemical Name>
AC1P9W8Y

>  <PubChem CID>
8548995

>  <Formula>
C22H25ClN2O3

>  <Molecular Weight>
400.903000

>  <IUPAC Name>
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[(2,2-dimethyl-3H-1-benzofuran-7-yl)oxy]ethanone

>  <XlogP>
4.300

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)C

>  <Isomeric SMILES>
CC1(CC2=C(O1)C(=CC=C2)OCC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl)C

>  <InChI Std. ID>
InChI=1S/C22H25ClN2O3/c1-22(2)14-16-5-3-8-19(21(16)28-22)27-15-20(26)25-11-9-24(10-12-25)18-7-4-6-17(23)13-18/h3-8,13H,9-12,14-15H2,1-2H3

>  <InChI Key>
AABJMUMRLMCEIF-UHFFFAOYSA-N

