
 CHEMBL244957

 39 41  0  0  0  0  0  0  0  0999 V2000
    8.7112    4.3883   -5.5309 C   0  0  0  0  0
    7.4308    4.9059   -4.9031 C   0  0  0  0  0
    7.1828    4.3105   -3.5290 C   0  0  0  0  0
    7.7065    3.2757   -3.1328 O   0  0  0  0  0
    6.2578    5.0223   -2.7939 N   0  0  0  0  0
    5.9199    4.6467   -1.4333 C   0  0  0  0  0
    6.9610    5.0948   -0.4023 C   0  0  0  0  0
    7.1230    6.5849   -0.3173 C   0  0  0  0  0
    6.1308    7.5106   -0.0100 C   0  0  0  0  0
    6.7000    8.7466   -0.0221 N   0  0  0  0  0
    6.0951   10.0467    0.2172 C   0  0  0  0  0
    7.1358   11.0729    0.7143 C   0  0  0  0  0
    8.4242   11.1061   -0.1428 C   0  0  0  0  0
    8.9379    9.7147   -0.3718 C   0  0  0  0  0
   10.2550    9.3827   -0.6931 C   0  0  0  0  0
   10.6217    8.0492   -0.9075 C   0  0  0  0  0
    9.6802    7.0073   -0.8176 C   0  0  0  0  0
    8.3427    7.3204   -0.5080 C   0  0  0  0  0
    8.0346    8.6530   -0.3088 C   0  0  0  0  0
    8.8489    4.8229   -6.5247 H   0  0  0  0  0
    8.6930    3.2991   -5.6337 H   0  0  0  0  0
    9.5778    4.6531   -4.9171 H   0  0  0  0  0
    6.5759    4.6454   -5.5377 H   0  0  0  0  0
    7.4783    5.9974   -4.8250 H   0  0  0  0  0
    6.0519    5.9726   -3.0750 H   0  0  0  0  0
    5.8155    3.5573   -1.3912 H   0  0  0  0  0
    4.9401    5.0848   -1.2181 H   0  0  0  0  0
    7.9261    4.6276   -0.6300 H   0  0  0  0  0
    6.6612    4.7249    0.5857 H   0  0  0  0  0
    5.0811    7.3760    0.2149 H   0  0  0  0  0
    5.6575   10.3685   -0.7342 H   0  0  0  0  0
    5.2965    9.9195    0.9549 H   0  0  0  0  0
    6.6865   12.0717    0.7468 H   0  0  0  0  0
    7.4115   10.8144    1.7460 H   0  0  0  0  0
    8.2133   11.5702   -1.1131 H   0  0  0  0  0
    9.1808   11.7123    0.3679 H   0  0  0  0  0
   11.0093   10.1619   -0.7715 H   0  0  0  0  0
   11.6556    7.8091   -1.1453 H   0  0  0  0  0
    9.9869    5.9786   -0.9823 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  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  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
  8 18  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 19  1  0  0  0
 11 12  1  0  0  0
 11 31  1  0  0  0
 11 32  1  0  0  0
 12 13  1  0  0  0
 12 33  1  0  0  0
 12 34  1  0  0  0
 13 14  1  0  0  0
 13 35  1  0  0  0
 13 36  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 16 17  2  0  0  0
 16 38  1  0  0  0
 17 18  1  0  0  0
 17 39  1  0  0  0
 18 19  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL244957

>  <PubChem CID>
16742968

>  <Formula>
C16H20N2O

>  <Molecular Weight>
256.349000

>  <IUPAC Name>


>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCC(=O)NCCC1=CN2CCCC3=CC=CC1=C32

>  <Isomeric SMILES>
CCC(=O)NCCC1=CN2CCCC3=CC=CC1=C32

>  <InChI Std. ID>
InChI=1S/C16H20N2O/c1-2-15(19)17-9-8-13-11-18-10-4-6-12-5-3-7-14(13)16(12)18/h3,5,7,11H,2,4,6,8-10H2,1H3,(H,17,19)

>  <InChI Key>
DAUGIYALPKXCNB-UHFFFAOYSA-N

