
 CHEMBL371823

 61 62  0  0  0  0  0  0  0  0999 V2000
   -0.1685   -1.2741    1.4467 C   0  0  0  0  0
    0.4170   -1.4358    0.1928 C   0  0  0  0  0
    1.7844   -1.2080    0.0249 C   0  0  0  0  0
    2.5796   -0.8138    1.1053 C   0  0  0  0  0
    1.9846   -0.6473    2.3591 C   0  0  0  0  0
    0.6160   -0.8798    2.5284 C   0  0  0  0  0
    3.9089   -0.6350    0.8147 O   0  0  0  0  0
    4.7204   -0.1619    1.8818 C   0  0  0  0  0
    6.2008   -0.0745    1.5261 C   0  0  0  0  0
    6.9987    0.5825    2.1956 O   0  0  0  0  0
    6.6032   -0.8646    0.4720 N   0  0  0  0  0
    7.9603   -0.8389    0.1233 N   0  0  0  0  0
    8.3078   -0.9711   -1.2040 C   0  0  0  0  0
    7.5020   -1.2434   -2.0905 O   0  0  0  0  0
    9.7956   -0.8420   -1.4574 C   0  0  0  0  0
   10.4784   -2.1937   -1.2547 C   0  0  0  0  0
   11.9833   -2.1211   -1.5217 C   0  0  0  0  0
   12.6989   -3.4580   -1.2943 C   0  0  0  0  0
   12.2989   -4.5301   -2.3051 C   0  0  0  0  0
   13.1077   -5.7929   -2.1195 C   0  0  0  0  0
   14.0933   -6.0606   -2.8018 O   0  0  0  0  0
   12.6467   -6.6182   -1.1169 N   0  0  0  0  0
   13.3195   -7.8193   -0.8822 N   0  0  0  0  0
   13.0840   -8.4889    0.3040 C   0  0  0  0  0
   12.2752   -8.0910    1.1421 O   0  0  0  0  0
   13.8565   -9.7962    0.4316 C   0  0  0  0  0
   15.1748   -9.5495    0.9039 O   0  0  0  0  0
   15.9169  -10.6773    1.1452 C   0  0  0  0  0
   16.8496  -10.5834    2.1805 C   0  0  0  0  0
   17.6724  -11.6689    2.4919 C   0  0  0  0  0
   17.5776  -12.8491    1.7570 C   0  0  0  0  0
   16.6622  -12.9415    0.7109 C   0  0  0  0  0
   15.8346  -11.8577    0.4030 C   0  0  0  0  0
   -1.2310   -1.4541    1.5807 H   0  0  0  0  0
   -0.1911   -1.7403   -0.6554 H   0  0  0  0  0
    2.2325   -1.3375   -0.9576 H   0  0  0  0  0
    2.5505   -0.3415    3.2326 H   0  0  0  0  0
    0.1622   -0.7540    3.5084 H   0  0  0  0  0
    4.6655   -0.8459    2.7367 H   0  0  0  0  0
    4.3980    0.8464    2.1683 H   0  0  0  0  0
    5.9386   -1.2082   -0.2231 H   0  0  0  0  0
    8.5771   -0.3826    0.7954 H   0  0  0  0  0
   10.2194   -0.0888   -0.7828 H   0  0  0  0  0
    9.9407   -0.4755   -2.4799 H   0  0  0  0  0
   10.0104   -2.9258   -1.9225 H   0  0  0  0  0
   10.3050   -2.5485   -0.2311 H   0  0  0  0  0
   12.4291   -1.3732   -0.8544 H   0  0  0  0  0
   12.1643   -1.7775   -2.5475 H   0  0  0  0  0
   12.5107   -3.8115   -0.2732 H   0  0  0  0  0
   13.7812   -3.2892   -1.3645 H   0  0  0  0  0
   12.4568   -4.1746   -3.3301 H   0  0  0  0  0
   11.2376   -4.7845   -2.2147 H   0  0  0  0  0
   11.8857   -6.3808   -0.4827 H   0  0  0  0  0
   14.1330   -8.0076   -1.4681 H   0  0  0  0  0
   13.8730  -10.2578   -0.5622 H   0  0  0  0  0
   13.3081  -10.4471    1.1233 H   0  0  0  0  0
   16.9318   -9.6647    2.7552 H   0  0  0  0  0
   18.3896  -11.5919    3.3053 H   0  0  0  0  0
   18.2212  -13.6925    1.9930 H   0  0  0  0  0
   16.5976  -13.8556    0.1261 H   0  0  0  0  0
   15.1564  -11.9617   -0.4362 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 34  1  0  0  0
  2  3  1  0  0  0
  2 35  1  0  0  0
  3  4  2  0  0  0
  3 36  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 37  1  0  0  0
  6 38  1  0  0  0
  7  8  1  0  0  0
  8  9  1  0  0  0
  8 39  1  0  0  0
  8 40  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 12  1  0  0  0
 11 41  1  0  0  0
 12 13  1  0  0  0
 12 42  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  1  0  0  0
 15 43  1  0  0  0
 15 44  1  0  0  0
 16 17  1  0  0  0
 16 45  1  0  0  0
 16 46  1  0  0  0
 17 18  1  0  0  0
 17 47  1  0  0  0
 17 48  1  0  0  0
 18 19  1  0  0  0
 18 49  1  0  0  0
 18 50  1  0  0  0
 19 20  1  0  0  0
 19 51  1  0  0  0
 19 52  1  0  0  0
 20 22  1  0  0  0
 20 21  2  0  0  0
 22 23  1  0  0  0
 22 53  1  0  0  0
 23 24  1  0  0  0
 23 54  1  0  0  0
 24 26  1  0  0  0
 24 25  2  0  0  0
 26 27  1  0  0  0
 26 55  1  0  0  0
 26 56  1  0  0  0
 27 28  1  0  0  0
 28 29  2  0  0  0
 28 33  1  0  0  0
 29 30  1  0  0  0
 29 57  1  0  0  0
 30 31  2  0  0  0
 30 58  1  0  0  0
 31 32  1  0  0  0
 31 59  1  0  0  0
 32 33  2  0  0  0
 32 60  1  0  0  0
 33 61  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL371823

>  <PubChem CID>
11487891

>  <Formula>
C23H28N4O6

>  <Molecular Weight>
456.499000

>  <IUPAC Name>
1-N',7-N'-bis(2-phenoxyacetyl)heptanedihydrazide

>  <XlogP>
2.4

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
6

>  <Canonical SMILES>
C1=CC=C(C=C1)OCC(=O)NNC(=O)CCCCCC(=O)NNC(=O)COC2=CC=CC=C2

>  <Isomeric SMILES>
C1=CC=C(C=C1)OCC(=O)NNC(=O)CCCCCC(=O)NNC(=O)COC2=CC=CC=C2

>  <InChI Std. ID>
InChI=1S/C23H28N4O6/c28-20(24-26-22(30)16-32-18-10-4-1-5-11-18)14-8-3-9-15-21(29)25-27-23(31)17-33-19-12-6-2-7-13-19/h1-2,4-7,10-13H,3,8-9,14-17H2,(H,24,28)(H,25,29)(H,26,30)(H,27,31)

>  <InChI Key>
XHANEBRMODXIFB-UHFFFAOYSA-N

