
 CHEMBL242786

 46 49  0  0  0  0  0  0  0  0999 V2000
   -3.2967    1.9765   -0.1319 C   0  0  0  0  0
   -3.8703    0.6147    0.2966 C   0  0  0  0  0
   -4.8129    0.6765   -0.9330 C   0  0  0  0  0
   -4.5907    2.2116   -0.9297 C   0  0  0  0  0
   -4.3724   -0.1009   -2.2145 C   0  0  0  0  0
   -3.2244   -0.1257   -2.6610 O   0  0  0  0  0
   -5.4051   -0.7809   -2.8299 N   0  0  0  0  0
   -5.2114   -1.5618   -4.0356 C   0  0  0  0  0
   -4.8308   -3.0067   -3.7173 C   0  0  0  0  0
   -4.5155   -3.8238   -4.9725 C   0  0  0  0  0
   -5.6858   -3.9741   -5.8937 C   0  0  0  0  0
   -5.9719   -3.1638   -6.9870 C   0  0  0  0  0
   -7.1300   -3.6117   -7.5407 N   0  0  0  0  0
   -7.8767   -3.0881   -8.6722 C   0  0  0  0  0
   -8.7396   -4.1837   -9.3332 C   0  0  0  0  0
   -9.5856   -4.9932   -8.3209 C   0  0  0  0  0
   -8.7388   -5.4377   -7.1640 C   0  0  0  0  0
   -9.0272   -6.5077   -6.3151 C   0  0  0  0  0
   -8.1788   -6.8174   -5.2452 C   0  0  0  0  0
   -7.0223   -6.0596   -4.9838 C   0  0  0  0  0
   -6.7204   -4.9670   -5.8184 C   0  0  0  0  0
   -7.5913   -4.7052   -6.8594 C   0  0  0  0  0
   -3.1044    2.6851    0.6777 H   0  0  0  0  0
   -2.4007    1.9005   -0.7579 H   0  0  0  0  0
   -4.4013    0.6401    1.2554 H   0  0  0  0  0
   -3.1523   -0.2097    0.3145 H   0  0  0  0  0
   -5.8444    0.4238   -0.6498 H   0  0  0  0  0
   -4.4563    2.6826   -1.9074 H   0  0  0  0  0
   -5.3588    2.7636   -0.3755 H   0  0  0  0  0
   -6.3248   -0.7744   -2.4104 H   0  0  0  0  0
   -4.4386   -1.0869   -4.6503 H   0  0  0  0  0
   -6.1583   -1.5164   -4.5821 H   0  0  0  0  0
   -5.6399   -3.4815   -3.1481 H   0  0  0  0  0
   -3.9476   -3.0166   -3.0660 H   0  0  0  0  0
   -4.1696   -4.8199   -4.6692 H   0  0  0  0  0
   -3.6795   -3.3622   -5.5129 H   0  0  0  0  0
   -5.4459   -2.3078   -7.3894 H   0  0  0  0  0
   -8.5063   -2.2793   -8.2850 H   0  0  0  0  0
   -7.1612   -2.6738   -9.3896 H   0  0  0  0  0
   -9.3941   -3.7351  -10.0889 H   0  0  0  0  0
   -8.0717   -4.8776   -9.8618 H   0  0  0  0  0
  -10.4051   -4.3719   -7.9418 H   0  0  0  0  0
  -10.0217   -5.8605   -8.8288 H   0  0  0  0  0
   -9.9148   -7.1127   -6.4847 H   0  0  0  0  0
   -8.4167   -7.6615   -4.6016 H   0  0  0  0  0
   -6.3764   -6.3176   -4.1508 H   0  0  0  0  0
  1  4  1  0  0  0
  1  2  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3  5  1  0  0  0
  3 27  1  0  0  0
  4 28  1  0  0  0
  4 29  1  0  0  0
  5  7  1  0  0  0
  5  6  2  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
  9 33  1  0  0  0
  9 34  1  0  0  0
 10 11  1  0  0  0
 10 35  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 21  1  0  0  0
 12 13  1  0  0  0
 12 37  1  0  0  0
 13 14  1  0  0  0
 13 22  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 42  1  0  0  0
 16 43  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 44  1  0  0  0
 19 20  2  0  0  0
 19 45  1  0  0  0
 20 21  1  0  0  0
 20 46  1  0  0  0
 21 22  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL242786

>  <PubChem CID>
16743125

>  <Formula>
C19H24N2O

>  <Molecular Weight>
296.414000

>  <IUPAC Name>


>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CC(C1)C(=O)NCCCC2=CN3CCCC4=CC=CC2=C43

>  <Isomeric SMILES>
C1CC(C1)C(=O)NCCCC2=CN3CCCC4=CC=CC2=C43

>  <InChI Std. ID>
InChI=1S/C19H24N2O/c22-19(15-6-1-7-15)20-11-3-8-16-13-21-12-4-9-14-5-2-10-17(16)18(14)21/h2,5,10,13,15H,1,3-4,6-9,11-12H2,(H,20,22)

>  <InChI Key>
QITDFJAPXZRMTE-UHFFFAOYSA-N

