
 CHEMBL83658

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.9955    0.9473    0.9415 C   0  0  0  0  0
    2.1889    1.9038   -0.1507 N   0  0  0  0  0
    0.9272    2.6015   -0.4210 C   0  0  0  0  0
    3.2401    2.8913    0.1698 C   0  0  0  0  0
    4.6607    2.3193    0.3009 C   0  0  0  0  0
    5.1682    1.6456   -0.9569 C   0  0  0  0  0
    6.6762    1.7421   -0.7752 C   0  0  0  0  0
    7.3938    0.5845   -0.1000 C   0  0  0  0  0
    6.7376   -0.5160    0.4739 C   0  0  0  0  0
    7.4608   -1.5475    1.0779 C   0  0  0  0  0
    8.8500   -1.4964    1.1229 C   0  0  0  0  0
    9.5216   -0.4120    0.5645 C   0  0  0  0  0
    8.8065    0.6289   -0.0484 C   0  0  0  0  0
    9.5464    1.8060   -0.6484 C   0  0  0  0  0
    9.2946    3.1251    0.0517 C   0  0  0  0  0
   10.4315    3.8834    0.4163 C   0  0  0  0  0
   10.3106    5.1070    1.0693 C   0  0  0  0  0
    9.0504    5.5972    1.3678 C   0  0  0  0  0
    7.9199    4.8630    1.0032 C   0  0  0  0  0
    8.0024    3.6235    0.3323 C   0  0  0  0  0
    6.8123    2.9728    0.0038 N   0  0  0  0  0
    5.5788    3.4026    0.5335 O   0  0  0  0  0
    2.8857    0.3260    1.0818 H   0  0  0  0  0
    1.1786    0.2550    0.7070 H   0  0  0  0  0
    1.7621    1.4434    1.8905 H   0  0  0  0  0
    0.1397    1.8875   -0.6876 H   0  0  0  0  0
    1.0361    3.2782   -1.2760 H   0  0  0  0  0
    0.5849    3.1861    0.4412 H   0  0  0  0  0
    2.9918    3.4401    1.0890 H   0  0  0  0  0
    3.2668    3.6557   -0.6199 H   0  0  0  0  0
    4.7261    1.6532    1.1687 H   0  0  0  0  0
    4.8852    2.2482   -1.8311 H   0  0  0  0  0
    4.7723    0.6402   -1.1191 H   0  0  0  0  0
    7.0995    1.8685   -1.7799 H   0  0  0  0  0
    5.6545   -0.5934    0.4736 H   0  0  0  0  0
    6.9361   -2.3906    1.5204 H   0  0  0  0  0
    9.4100   -2.2969    1.5986 H   0  0  0  0  0
   10.6075   -0.3797    0.6158 H   0  0  0  0  0
   10.6213    1.5810   -0.6363 H   0  0  0  0  0
    9.3000    1.9055   -1.7128 H   0  0  0  0  0
   11.4307    3.5131    0.1956 H   0  0  0  0  0
   11.1971    5.6704    1.3458 H   0  0  0  0  0
    8.9362    6.5477    1.8808 H   0  0  0  0  0
    6.9429    5.2761    1.2453 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  4  1  0  0  0
  2  3  1  0  0  0
  3 26  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4 29  1  0  0  0
  4 30  1  0  0  0
  5  6  1  0  0  0
  5 22  1  0  0  0
  5 31  1  0  0  0
  6  7  1  0  0  0
  6 32  1  0  0  0
  6 33  1  0  0  0
  7  8  1  0  0  0
  7 21  1  0  0  0
  7 34  1  0  0  0
  8  9  2  0  0  0
  8 13  1  0  0  0
  9 10  1  0  0  0
  9 35  1  0  0  0
 10 11  2  0  0  0
 10 36  1  0  0  0
 11 12  1  0  0  0
 11 37  1  0  0  0
 12 13  2  0  0  0
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 13 14  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 41  1  0  0  0
 17 18  2  0  0  0
 17 42  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 19 20  2  0  0  0
 19 44  1  0  0  0
 20 21  1  0  0  0
 21 22  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL83658

>  <PubChem CID>
9904205

>  <Formula>
C19H22N2O

>  <Molecular Weight>
294.398000

>  <IUPAC Name>


>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN(C)CC1CC2C3=CC=CC=C3CC4=CC=CC=C4N2O1

>  <Isomeric SMILES>
CN(C)CC1CC2C3=CC=CC=C3CC4=CC=CC=C4N2O1

>  <InChI Std. ID>
InChI=1S/C19H22N2O/c1-20(2)13-16-12-19-17-9-5-3-7-14(17)11-15-8-4-6-10-18(15)21(19)22-16/h3-10,16,19H,11-13H2,1-2H3

>  <InChI Key>
BTSCZNWXJQSJIE-UHFFFAOYSA-N

