
 CHEMBL282874

 43 47  0  0  0  0  0  0  0  0999 V2000
    0.9556    0.1397   -0.0750 C   0  0  0  0  0
    2.4965    0.1400   -0.0792 C   0  0  0  0  0
    2.9761   -0.9630    0.9056 C   0  0  0  0  0
    4.4497   -0.9463    1.2788 C   0  0  0  0  0
    5.1183   -1.9407    1.5319 O   0  0  0  0  0
    4.9663    0.3450    1.4775 N   0  0  0  0  0
    6.1679    0.7293    2.0527 C   0  0  0  0  0
    7.2349   -0.0362    2.5580 C   0  0  0  0  0
    8.3320    0.6292    3.1083 C   0  0  0  0  0
    8.3687    2.0161    3.1590 C   0  0  0  0  0
    7.3032    2.7726    2.6600 C   0  0  0  0  0
    6.1752    2.1307    2.0984 C   0  0  0  0  0
    4.9555    2.6002    1.4985 C   0  0  0  0  0
    4.3741    3.8722    1.2466 C   0  0  0  0  0
    5.0103    5.1656    1.7082 C   0  0  0  0  0
    4.0897    6.3097    1.7410 N   0  0  0  0  0
    3.4319    6.4371    0.4390 C   0  0  0  0  0
    2.5285    5.2357    0.1479 C   0  0  0  0  0
    3.1788    3.9096    0.4787 C   0  0  0  0  0
    2.5515    2.7300    0.0496 C   0  0  0  0  0
    3.0719    1.4712    0.3626 C   0  0  0  0  0
    4.2720    1.4705    1.0810 C   0  0  0  0  0
    2.9947   -0.1802   -1.5007 C   0  0  0  0  0
    0.5599    0.4453    0.9006 H   0  0  0  0  0
    0.5631   -0.8595   -0.2961 H   0  0  0  0  0
    0.5433    0.8209   -0.8275 H   0  0  0  0  0
    2.4266   -0.8804    1.8543 H   0  0  0  0  0
    2.7478   -1.9542    0.4936 H   0  0  0  0  0
    7.2182   -1.1227    2.5255 H   0  0  0  0  0
    9.1661    0.0513    3.4996 H   0  0  0  0  0
    9.2325    2.5195    3.5861 H   0  0  0  0  0
    7.3647    3.8555    2.7016 H   0  0  0  0  0
    5.8646    5.3967    1.0606 H   0  0  0  0  0
    5.3930    5.0369    2.7258 H   0  0  0  0  0
    3.3825    6.1198    2.4515 H   0  0  0  0  0
    4.1870    6.5521   -0.3494 H   0  0  0  0  0
    2.8307    7.3533    0.4267 H   0  0  0  0  0
    1.6101    5.3195    0.7428 H   0  0  0  0  0
    2.2470    5.2554   -0.9117 H   0  0  0  0  0
    1.6393    2.8079   -0.5396 H   0  0  0  0  0
    4.0891   -0.2162   -1.5509 H   0  0  0  0  0
    2.6612    0.5778   -2.2194 H   0  0  0  0  0
    2.6145   -1.1496   -1.8422 H   0  0  0  0  0
  1  2  1  0  0  0
  1 24  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 21  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 22  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 15 34  1  0  0  0
 16 17  1  0  0  0
 16 35  1  0  0  0
 17 18  1  0  0  0
 17 36  1  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 40  1  0  0  0
 21 22  2  0  0  0
 23 41  1  0  0  0
 23 42  1  0  0  0
 23 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL282874

>  <PubChem CID>
11066674

>  <Formula>
C20H20N2O

>  <Molecular Weight>
304.393000

>  <IUPAC Name>


>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC1(CC(=O)N2C3=CC=CC=C3C4=C5CNCCC5=CC1=C42)C

>  <Isomeric SMILES>
CC1(CC(=O)N2C3=CC=CC=C3C4=C5CNCCC5=CC1=C42)C

>  <InChI Std. ID>
InChI=1S/C20H20N2O/c1-20(2)10-17(23)22-16-6-4-3-5-13(16)18-14-11-21-8-7-12(14)9-15(20)19(18)22/h3-6,9,21H,7-8,10-11H2,1-2H3

>  <InChI Key>
ACUBTKJTXUPFDJ-UHFFFAOYSA-N

