
 CHEMBL244471

 40 43  0  0  0  0  0  0  0  0999 V2000
   -2.7575    1.3686    0.4760 C   0  0  0  0  0
   -1.8486    2.2700   -0.3941 C   0  0  0  0  0
   -0.4558    1.7137   -0.4470 C   0  0  0  0  0
    0.6971    2.4448   -0.7414 C   0  0  0  0  0
    1.9489    1.8191   -0.7774 C   0  0  0  0  0
    2.0850    0.4416   -0.5315 C   0  0  0  0  0
    0.9330   -0.3188   -0.2566 C   0  0  0  0  0
   -0.2774    0.3466   -0.2339 C   0  0  0  0  0
   -1.2615   -0.5613    0.0501 N   0  0  0  0  0
   -2.6484   -0.1317    0.1267 C   0  0  0  0  0
   -0.7269   -1.8031    0.2117 C   0  0  0  0  0
    0.6470   -1.6966    0.0272 C   0  0  0  0  0
    1.6482   -2.8110    0.1064 C   0  0  0  0  0
    1.8029   -3.5679   -1.2164 C   0  0  0  0  0
    2.3100   -2.7403   -2.2960 N   0  0  0  0  0
    3.6515   -2.5100   -2.4694 C   0  0  0  0  0
    4.5349   -3.0128   -1.7867 O   0  0  0  0  0
    3.9608   -1.5497   -3.5657 C   0  0  0  0  0
    4.8403   -0.3524   -3.2937 C   0  0  0  0  0
    5.3518   -1.4744   -4.1500 C   0  0  0  0  0
   -3.7993    1.6963    0.3869 H   0  0  0  0  0
   -2.4718    1.5004    1.5288 H   0  0  0  0  0
   -2.2472    2.3268   -1.4136 H   0  0  0  0  0
   -1.8380    3.2823    0.0251 H   0  0  0  0  0
    0.6292    3.5126   -0.9350 H   0  0  0  0  0
    2.8370    2.4086   -0.9941 H   0  0  0  0  0
    3.0652   -0.0249   -0.5522 H   0  0  0  0  0
   -3.0948   -0.3349   -0.8529 H   0  0  0  0  0
   -3.1515   -0.7412    0.8842 H   0  0  0  0  0
   -1.3474   -2.6589    0.4434 H   0  0  0  0  0
    1.3295   -3.5184    0.8826 H   0  0  0  0  0
    2.6180   -2.4127    0.4279 H   0  0  0  0  0
    0.8384   -3.9668   -1.5498 H   0  0  0  0  0
    2.4860   -4.4123   -1.0733 H   0  0  0  0  0
    1.6504   -2.1286   -2.7598 H   0  0  0  0  0
    3.1520   -1.3956   -4.2739 H   0  0  0  0  0
    5.2694   -0.2418   -2.3037 H   0  0  0  0  0
    4.5855    0.5827   -3.7770 H   0  0  0  0  0
    5.4447   -1.3041   -5.2158 H   0  0  0  0  0
    6.1209   -2.1186   -3.7355 H   0  0  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  2 24  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  2  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 10 28  1  0  0  0
 10 29  1  0  0  0
 11 12  2  0  0  0
 11 30  1  0  0  0
 12 13  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 13 32  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL244471

>  <PubChem CID>
16743293

>  <Formula>
C17H20N2O

>  <Molecular Weight>
268.360000

>  <IUPAC Name>


>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CC2=CC=CC3=C2N(C1)C=C3CCNC(=O)C4CC4

>  <Isomeric SMILES>
C1CC2=CC=CC3=C2N(C1)C=C3CCNC(=O)C4CC4

>  <InChI Std. ID>
InChI=1S/C17H20N2O/c20-17(13-6-7-13)18-9-8-14-11-19-10-2-4-12-3-1-5-15(14)16(12)19/h1,3,5,11,13H,2,4,6-10H2,(H,18,20)

>  <InChI Key>
AWZSLCLEVUNXKS-UHFFFAOYSA-N

