
 CHEMBL19123

 48 50  0  0  0  0  0  0  0  0999 V2000
    3.5955   10.0198   -2.3491 C   0  0  0  0  0
    3.4668    8.7003   -3.0960 C   0  0  0  0  0
    4.7297    7.8391   -3.0391 C   0  0  0  0  0
    5.0213    7.2610   -1.6581 C   0  0  0  0  0
    4.3134    7.5199   -0.6854 O   0  0  0  0  0
    6.1466    6.4391   -1.5507 N   0  0  0  0  0
    6.6646    5.6947   -2.7037 C   0  0  0  0  0
    7.9758    4.9299   -2.4293 C   0  0  0  0  0
    7.9963    4.1522   -1.1677 N   0  0  0  0  0
    7.7165    5.1268   -0.0867 C   0  0  0  0  0
    6.3664    5.8473   -0.2279 C   0  0  0  0  0
    7.0476    3.0123   -1.1832 C   0  0  0  0  0
    7.4974    1.8920   -2.1623 C   0  0  0  0  0
    8.4876    1.0064   -1.3944 C   0  0  0  0  0
    7.8871    1.0710   -0.0265 C   0  0  0  0  0
    7.0559    2.1901    0.0926 C   0  0  0  0  0
    6.3517    2.4116    1.2705 C   0  0  0  0  0
    6.5223    1.5366    2.3480 C   0  0  0  0  0
    7.3844    0.4359    2.2258 C   0  0  0  0  0
    8.0721    0.1970    1.0296 C   0  0  0  0  0
    5.7957    1.8656    3.4613 O   0  0  0  0  0
    5.9500    1.0307    4.6009 C   0  0  0  0  0
    2.6971   10.6277   -2.5064 H   0  0  0  0  0
    4.4588   10.5923   -2.7034 H   0  0  0  0  0
    3.7025    9.8704   -1.2700 H   0  0  0  0  0
    3.2480    8.9222   -4.1468 H   0  0  0  0  0
    2.6092    8.1411   -2.7026 H   0  0  0  0  0
    5.5971    8.4256   -3.3624 H   0  0  0  0  0
    4.5919    7.0062   -3.7382 H   0  0  0  0  0
    6.8310    6.3900   -3.5328 H   0  0  0  0  0
    5.8800    4.9962   -3.0184 H   0  0  0  0  0
    8.2197    4.3032   -3.2919 H   0  0  0  0  0
    8.7953    5.6607   -2.3828 H   0  0  0  0  0
    7.7994    4.6629    0.9009 H   0  0  0  0  0
    8.5155    5.8812   -0.0964 H   0  0  0  0  0
    5.5352    5.1587   -0.0374 H   0  0  0  0  0
    6.3027    6.6414    0.5267 H   0  0  0  0  0
    6.0230    3.3157   -1.4247 H   0  0  0  0  0
    7.9183    2.2416   -3.1083 H   0  0  0  0  0
    6.6148    1.2907   -2.4318 H   0  0  0  0  0
    9.4953    1.4305   -1.3931 H   0  0  0  0  0
    8.5030   -0.0109   -1.7959 H   0  0  0  0  0
    5.6784    3.2565    1.3694 H   0  0  0  0  0
    7.5372   -0.2588    3.0442 H   0  0  0  0  0
    8.7291   -0.6622    0.9352 H   0  0  0  0  0
    5.3236    1.4378    5.4008 H   0  0  0  0  0
    6.9858    1.0330    4.9567 H   0  0  0  0  0
    5.6045    0.0129    4.3929 H   0  0  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  2 27  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  3 29  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 11  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 12  1  0  0  0
 10 11  1  0  0  0
 10 34  1  0  0  0
 10 35  1  0  0  0
 11 36  1  0  0  0
 11 37  1  0  0  0
 12 16  1  0  0  0
 12 13  1  0  0  0
 12 38  1  0  0  0
 13 14  1  0  0  0
 13 39  1  0  0  0
 13 40  1  0  0  0
 14 15  1  0  0  0
 14 41  1  0  0  0
 14 42  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 43  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 44  1  0  0  0
 20 45  1  0  0  0
 21 22  1  0  0  0
 22 46  1  0  0  0
 22 47  1  0  0  0
 22 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL19123

>  <PubChem CID>
22375370

>  <Formula>
C18H26N2O2

>  <Molecular Weight>
302.418000

>  <IUPAC Name>
1-[4-(6-methoxy-2,3-dihydro-1H-inden-1-yl)piperazin-1-yl]butan-1-one

>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC(=O)N1CCN(CC1)C2CCC3=C2C=C(C=C3)OC

>  <Isomeric SMILES>
CCCC(=O)N1CCN(CC1)C2CCC3=C2C=C(C=C3)OC

>  <InChI Std. ID>
InChI=1S/C18H26N2O2/c1-3-4-18(21)20-11-9-19(10-12-20)17-8-6-14-5-7-15(22-2)13-16(14)17/h5,7,13,17H,3-4,6,8-12H2,1-2H3

>  <InChI Key>
CQEFEELCRZPXCD-UHFFFAOYSA-N

