
 CHEMBL244263

 42 44  0  0  0  0  0  0  0  0999 V2000
   12.9131    0.9981    0.7657 C   0  0  0  0  0
   12.4351    0.5654   -0.6092 C   0  0  0  0  0
   10.9244    0.4813   -0.7221 C   0  0  0  0  0
   10.3556   -0.5124   -1.1651 O   0  0  0  0  0
   10.2678    1.6267   -0.3424 N   0  0  0  0  0
    8.8417    1.8021   -0.5287 C   0  0  0  0  0
    8.2594    2.9023    0.3611 C   0  0  0  0  0
    8.5247    4.3366   -0.1203 C   0  0  0  0  0
    9.9700    4.7222   -0.1776 C   0  0  0  0  0
   10.6848    5.0214   -1.3326 C   0  0  0  0  0
   11.9800    5.2340   -0.9755 N   0  0  0  0  0
   13.1359    5.5097   -1.8132 C   0  0  0  0  0
   14.2699    6.1831   -1.0105 C   0  0  0  0  0
   14.5888    5.4656    0.3226 C   0  0  0  0  0
   13.3259    5.1927    1.0862 C   0  0  0  0  0
   13.2482    4.9595    2.4603 C   0  0  0  0  0
   12.0203    4.6700    3.0655 C   0  0  0  0  0
   10.8346    4.5877    2.3134 C   0  0  0  0  0
   10.8935    4.7928    0.9222 C   0  0  0  0  0
   12.1296    5.0848    0.3764 C   0  0  0  0  0
   13.9984    0.8859    0.8431 H   0  0  0  0  0
   12.4449    0.4002    1.5550 H   0  0  0  0  0
   12.6765    2.0462    0.9576 H   0  0  0  0  0
   12.8411   -0.4287   -0.8313 H   0  0  0  0  0
   12.8038    1.2525   -1.3773 H   0  0  0  0  0
   10.8349    2.4582   -0.2250 H   0  0  0  0  0
    8.3528    0.8504   -0.2929 H   0  0  0  0  0
    8.6610    2.0098   -1.5892 H   0  0  0  0  0
    8.6157    2.7719    1.3896 H   0  0  0  0  0
    7.1704    2.7683    0.3907 H   0  0  0  0  0
    8.0070    5.0342    0.5500 H   0  0  0  0  0
    8.0700    4.4690   -1.1106 H   0  0  0  0  0
   10.3692    5.0686   -2.3671 H   0  0  0  0  0
   13.4667    4.5465   -2.2174 H   0  0  0  0  0
   12.8113    6.1531   -2.6371 H   0  0  0  0  0
   15.1747    6.2428   -1.6252 H   0  0  0  0  0
   13.9687    7.2155   -0.7856 H   0  0  0  0  0
   15.0921    4.5130    0.1200 H   0  0  0  0  0
   15.2658    6.0896    0.9165 H   0  0  0  0  0
   14.1474    5.0010    3.0712 H   0  0  0  0  0
   11.9809    4.4936    4.1387 H   0  0  0  0  0
    9.8964    4.3479    2.8028 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  5  1  0  0  0
  3  4  2  0  0  0
  5  6  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7  8  1  0  0  0
  7 29  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  2  0  0  0
  9 19  1  0  0  0
 10 11  1  0  0  0
 10 33  1  0  0  0
 11 12  1  0  0  0
 11 20  1  0  0  0
 12 13  1  0  0  0
 12 34  1  0  0  0
 12 35  1  0  0  0
 13 14  1  0  0  0
 13 36  1  0  0  0
 13 37  1  0  0  0
 14 15  1  0  0  0
 14 38  1  0  0  0
 14 39  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  2  0  0  0
 17 41  1  0  0  0
 18 19  1  0  0  0
 18 42  1  0  0  0
 19 20  2  0  0  0
M  END

>  <Chemical Name>
CHEMBL244263

>  <PubChem CID>
16743123

>  <Formula>
C17H22N2O

>  <Molecular Weight>
270.376000

>  <IUPAC Name>


>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

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

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

>  <InChI Std. ID>
InChI=1S/C17H22N2O/c1-2-16(20)18-10-4-7-14-12-19-11-5-8-13-6-3-9-15(14)17(13)19/h3,6,9,12H,2,4-5,7-8,10-11H2,1H3,(H,18,20)

>  <InChI Key>
WIWPPVPMBNTTAQ-UHFFFAOYSA-N

