
 CHEMBL2048808

 56 59  0  0  0  0  0  0  0  0999 V2000
   -0.4367    8.3423    2.4813 C   0  0  0  0  0
    0.6917    9.0474    1.9766 O   0  0  0  0  0
    1.6833    8.2791    1.4326 C   0  0  0  0  0
    2.9256    8.9074    1.3285 C   0  0  0  0  0
    4.0269    8.2305    0.7947 C   0  0  0  0  0
    3.8868    6.9180    0.3462 C   0  0  0  0  0
    2.6425    6.2931    0.4437 C   0  0  0  0  0
    1.5408    6.9704    0.9760 C   0  0  0  0  0
    4.8804    6.1393   -0.1790 O   0  0  0  0  0
    6.0307    6.8249   -0.6530 C   0  0  0  0  0
    7.0374    5.8754   -1.3172 C   0  0  0  0  0
    6.8663    4.6555   -1.3353 O   0  0  0  0  0
    8.1625    6.4689   -1.8965 N   0  0  0  0  0
    8.5523    7.8646   -1.7149 C   0  0  0  0  0
    9.7069    7.9428   -0.7169 C   0  0  0  0  0
   10.8749    7.0731   -1.2184 C   0  0  0  0  0
   10.4192    5.6235   -1.4662 C   0  0  0  0  0
    9.2238    5.6109   -2.4211 C   0  0  0  0  0
   12.1739    7.1780   -0.3784 C   0  0  0  0  0
   12.8247    7.9450   -1.4546 N   0  0  0  0  0
   11.6973    7.7057   -2.3678 C   0  0  0  0  0
   12.9533    9.3605   -1.0717 C   0  0  0  0  0
   13.2551   10.2793   -2.2375 C   0  0  0  0  0
   12.3933   11.3471   -2.5362 C   0  0  0  0  0
   12.6508   12.1828   -3.6235 C   0  0  0  0  0
   13.7739   11.9657   -4.4188 C   0  0  0  0  0
   14.6435   10.9165   -4.1255 C   0  0  0  0  0
   14.3864   10.0771   -3.0399 C   0  0  0  0  0
   -1.0656    9.0596    3.0174 H   0  0  0  0  0
   -0.1337    7.5668    3.1937 H   0  0  0  0  0
   -1.0339    7.9193    1.6674 H   0  0  0  0  0
    3.0403    9.9293    1.6817 H   0  0  0  0  0
    4.9756    8.7534    0.7630 H   0  0  0  0  0
    2.5284    5.2698    0.0929 H   0  0  0  0  0
    0.5894    6.4514    1.0096 H   0  0  0  0  0
    6.5495    7.2959    0.1898 H   0  0  0  0  0
    5.7245    7.5647   -1.4023 H   0  0  0  0  0
    7.7218    8.4819   -1.3687 H   0  0  0  0  0
    8.8520    8.2517   -2.6957 H   0  0  0  0  0
   10.0021    8.9889   -0.5917 H   0  0  0  0  0
    9.3747    7.5814    0.2645 H   0  0  0  0  0
   11.2320    5.0194   -1.8857 H   0  0  0  0  0
   10.1321    5.1631   -0.5123 H   0  0  0  0  0
    9.5081    6.0032   -3.4045 H   0  0  0  0  0
    8.8717    4.5849   -2.5669 H   0  0  0  0  0
   12.6700    6.2179   -0.1892 H   0  0  0  0  0
   12.0715    7.6805    0.5912 H   0  0  0  0  0
   11.2434    8.5817   -2.8432 H   0  0  0  0  0
   11.9572    7.0088   -3.1744 H   0  0  0  0  0
   13.7812    9.4537   -0.3565 H   0  0  0  0  0
   12.0652    9.7294   -0.5452 H   0  0  0  0  0
   11.5094   11.5281   -1.9295 H   0  0  0  0  0
   11.9731   13.0017   -3.8514 H   0  0  0  0  0
   13.9723   12.6155   -5.2675 H   0  0  0  0  0
   15.5193   10.7467   -4.7454 H   0  0  0  0  0
   15.0632    9.2518   -2.8268 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 32  1  0  0  0
  5  6  2  0  0  0
  5 33  1  0  0  0
  6  7  1  0  0  0
  6  9  1  0  0  0
  7  8  2  0  0  0
  7 34  1  0  0  0
  8 35  1  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 10 37  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 38  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 21  1  0  0  0
 16 19  1  0  0  0
 17 18  1  0  0  0
 17 42  1  0  0  0
 17 43  1  0  0  0
 18 44  1  0  0  0
 18 45  1  0  0  0
 19 20  1  0  0  0
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 20 21  1  0  0  0
 20 22  1  0  0  0
 21 48  1  0  0  0
 21 49  1  0  0  0
 22 23  1  0  0  0
 22 50  1  0  0  0
 22 51  1  0  0  0
 23 24  2  0  0  0
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 24 25  1  0  0  0
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 27 55  1  0  0  0
 28 56  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL2048808

>  <PubChem CID>
70694647

>  <Formula>
C23H28N2O3

>  <Molecular Weight>
380.488000

>  <IUPAC Name>
1-(2-benzyl-2,7-diazaspiro[3.5]nonan-7-yl)-2-(4-methoxyphenoxy)ethanone

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
COC1=CC=C(C=C1)OCC(=O)N2CCC3(CC2)CN(C3)CC4=CC=CC=C4

>  <Isomeric SMILES>
COC1=CC=C(C=C1)OCC(=O)N2CCC3(CC2)CN(C3)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C23H28N2O3/c1-27-20-7-9-21(10-8-20)28-16-22(26)25-13-11-23(12-14-25)17-24(18-23)15-19-5-3-2-4-6-19/h2-10H,11-18H2,1H3

>  <InChI Key>
AWIDXSUFNLMVFO-UHFFFAOYSA-N

