
 CHEMBL244472

 45 47  0  0  0  0  0  0  0  0999 V2000
    0.9751    1.2501    2.5483 C   0  0  0  0  0
    2.4919    1.2378    2.6414 C   0  0  0  0  0
    3.1331    1.9654    1.4630 C   0  0  0  0  0
    4.6485    1.9785    1.5517 C   0  0  0  0  0
    5.2788    1.4798    2.4767 O   0  0  0  0  0
    5.2380    2.6147    0.4795 N   0  0  0  0  0
    6.6757    2.7411    0.3426 C   0  0  0  0  0
    7.0985    4.2058    0.3309 C   0  0  0  0  0
    8.6163    4.3343    0.2025 C   0  0  0  0  0
    9.0638    5.7600    0.1510 C   0  0  0  0  0
    9.2393    6.5242   -0.9970 C   0  0  0  0  0
    9.6697    7.7558   -0.6104 N   0  0  0  0  0
   10.0261    8.9084   -1.4209 C   0  0  0  0  0
    9.8946   10.2240   -0.6237 C   0  0  0  0  0
   10.5779   10.1724    0.7639 C   0  0  0  0  0
   10.1802    8.9249    1.4974 C   0  0  0  0  0
   10.2363    8.7481    2.8814 C   0  0  0  0  0
    9.8694    7.5270    3.4592 C   0  0  0  0  0
    9.4486    6.4405    2.6705 C   0  0  0  0  0
    9.4048    6.5901    1.2718 C   0  0  0  0  0
    9.7743    7.8173    0.7533 C   0  0  0  0  0
    0.5388    0.7202    3.4012 H   0  0  0  0  0
    0.6334    0.7579    1.6320 H   0  0  0  0  0
    0.5900    2.2749    2.5527 H   0  0  0  0  0
    2.8438    0.1998    2.6751 H   0  0  0  0  0
    2.7993    1.7069    3.5835 H   0  0  0  0  0
    2.7843    3.0042    1.4304 H   0  0  0  0  0
    2.8475    1.4772    0.5237 H   0  0  0  0  0
    4.6512    2.9731   -0.2627 H   0  0  0  0  0
    6.9460    2.2592   -0.6028 H   0  0  0  0  0
    7.1821    2.2038    1.1509 H   0  0  0  0  0
    6.7543    4.7002    1.2486 H   0  0  0  0  0
    6.6045    4.7251   -0.5011 H   0  0  0  0  0
    8.9555    3.8184   -0.7048 H   0  0  0  0  0
    9.1040    3.8291    1.0454 H   0  0  0  0  0
    9.0987    6.2767   -2.0407 H   0  0  0  0  0
   11.0602    8.7546   -1.7481 H   0  0  0  0  0
    9.3703    8.9221   -2.2973 H   0  0  0  0  0
   10.3047   11.0550   -1.2084 H   0  0  0  0  0
    8.8264   10.4348   -0.4771 H   0  0  0  0  0
   11.6673   10.1800    0.6419 H   0  0  0  0  0
   10.2930   11.0600    1.3396 H   0  0  0  0  0
   10.5641    9.5637    3.5212 H   0  0  0  0  0
    9.9130    7.4117    4.5399 H   0  0  0  0  0
    9.1696    5.5014    3.1380 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  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 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 29  1  0  0  0
  7  8  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  9  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9 10  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10 11  2  0  0  0
 10 20  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 12 13  1  0  0  0
 12 21  1  0  0  0
 13 14  1  0  0  0
 13 37  1  0  0  0
 13 38  1  0  0  0
 14 15  1  0  0  0
 14 39  1  0  0  0
 14 40  1  0  0  0
 15 16  1  0  0  0
 15 41  1  0  0  0
 15 42  1  0  0  0
 16 17  2  0  0  0
 16 21  1  0  0  0
 17 18  1  0  0  0
 17 43  1  0  0  0
 18 19  2  0  0  0
 18 44  1  0  0  0
 19 20  1  0  0  0
 19 45  1  0  0  0
 20 21  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL244472

>  <PubChem CID>
16743295

>  <Formula>
C18H24N2O

>  <Molecular Weight>
284.403000

>  <IUPAC Name>


>  <XlogP>
3.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCC(=O)NCCCC1=CN2CCCC3=CC=CC1=C32

>  <Isomeric SMILES>
CCCC(=O)NCCCC1=CN2CCCC3=CC=CC1=C32

>  <InChI Std. ID>
InChI=1S/C18H24N2O/c1-2-6-17(21)19-11-4-8-15-13-20-12-5-9-14-7-3-10-16(15)18(14)20/h3,7,10,13H,2,4-6,8-9,11-12H2,1H3,(H,19,21)

>  <InChI Key>
FGNIHHCCXIPQRY-UHFFFAOYSA-N

