
 CHEMBL241928

 39 41  0  0  0  0  0  0  0  0999 V2000
    6.2117    8.7013    4.3061 C   0  0  0  0  0
    6.0321    7.2251    4.5472 C   0  0  0  0  0
    5.0021    6.7671    5.0288 O   0  0  0  0  0
    7.1300    6.4722    4.2107 N   0  0  0  0  0
    7.1692    5.0286    4.3193 C   0  0  0  0  0
    7.0743    4.3187    2.9639 C   0  0  0  0  0
    8.3600    4.3856    2.1261 C   0  0  0  0  0
    8.6788    5.7549    1.6130 C   0  0  0  0  0
    7.8978    6.4991    0.7358 C   0  0  0  0  0
    8.4944    7.7093    0.5770 N   0  0  0  0  0
    8.0679    8.8541   -0.2116 C   0  0  0  0  0
    8.6362   10.1718    0.3567 C   0  0  0  0  0
   10.1572   10.1114    0.6355 C   0  0  0  0  0
   10.4972    8.8727    1.4136 C   0  0  0  0  0
   11.6342    8.7012    2.2041 C   0  0  0  0  0
   11.8601    7.4920    2.8727 C   0  0  0  0  0
   10.9597    6.4162    2.7664 C   0  0  0  0  0
    9.8181    6.5598    1.9570 C   0  0  0  0  0
    9.6465    7.7727    1.3128 C   0  0  0  0  0
    7.0038    8.8981    3.5775 H   0  0  0  0  0
    6.4645    9.1923    5.2508 H   0  0  0  0  0
    5.2799    9.1176    3.9137 H   0  0  0  0  0
    7.9244    6.9346    3.7838 H   0  0  0  0  0
    6.3416    4.6944    4.9531 H   0  0  0  0  0
    8.1038    4.7658    4.8279 H   0  0  0  0  0
    6.2234    4.7076    2.3939 H   0  0  0  0  0
    6.8686    3.2591    3.1576 H   0  0  0  0  0
    8.2528    3.7147    1.2650 H   0  0  0  0  0
    9.1985    3.9951    2.7140 H   0  0  0  0  0
    6.9638    6.2589    0.2451 H   0  0  0  0  0
    8.4249    8.6832   -1.2334 H   0  0  0  0  0
    6.9728    8.8756   -0.2119 H   0  0  0  0  0
    8.4164   10.9975   -0.3286 H   0  0  0  0  0
    8.1187   10.3937    1.2995 H   0  0  0  0  0
   10.7096   10.0989   -0.3116 H   0  0  0  0  0
   10.4569   11.0051    1.1941 H   0  0  0  0  0
   12.3524    9.5102    2.3078 H   0  0  0  0  0
   12.7500    7.3803    3.4880 H   0  0  0  0  0
   11.1533    5.4900    3.2990 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  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 24  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>
CHEMBL241928

>  <PubChem CID>
16743294

>  <Formula>
C16H20N2O

>  <Molecular Weight>
256.349000

>  <IUPAC Name>


>  <XlogP>
2.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

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

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

>  <InChI Std. ID>
InChI=1S/C16H20N2O/c1-12(19)17-9-3-6-14-11-18-10-4-7-13-5-2-8-15(14)16(13)18/h2,5,8,11H,3-4,6-7,9-10H2,1H3,(H,17,19)

>  <InChI Key>
YFLPKZCHTCYXJL-UHFFFAOYSA-N

