
 CHEMBL320136

 39 40  0  0  0  0  0  0  0  0999 V2000
    2.3703    2.2775    1.2709 C   0  0  0  0  0
    3.5804    1.7904    0.5200 C   0  0  0  0  0
    3.8108    2.1205   -0.6378 O   0  0  0  0  0
    4.3983    0.9691    1.2598 N   0  0  0  0  0
    5.6700    0.4902    0.7455 C   0  0  0  0  0
    6.8090    1.5204    0.8991 C   0  0  0  0  0
    8.1277    1.0724    0.2425 C   0  0  0  0  0
    8.6944   -0.2741    0.6844 C   0  0  0  0  0
    9.1713   -0.3136    2.1319 C   0  0  0  0  0
    8.0507   -0.1908    3.1590 C   0  0  0  0  0
    7.5616    1.2228    3.3607 C   0  0  0  0  0
    7.0002    2.0017    2.3329 C   0  0  0  0  0
    6.5764    3.3148    2.6352 C   0  0  0  0  0
    6.7182    3.8628    3.9101 C   0  0  0  0  0
    7.2524    3.0822    4.9255 C   0  0  0  0  0
    7.6669    1.7764    4.6516 C   0  0  0  0  0
    6.2748    5.1486    4.0468 O   0  0  0  0  0
    6.8640    5.8945    5.1061 C   0  0  0  0  0
    2.1273    1.6141    2.1061 H   0  0  0  0  0
    1.5117    2.2988    0.5940 H   0  0  0  0  0
    2.5648    3.2825    1.6538 H   0  0  0  0  0
    4.2667    0.9402    2.2634 H   0  0  0  0  0
    5.5425    0.2410   -0.3146 H   0  0  0  0  0
    5.8762   -0.4410    1.2764 H   0  0  0  0  0
    6.5010    2.3989    0.3124 H   0  0  0  0  0
    7.9593    1.0139   -0.8414 H   0  0  0  0  0
    8.8918    1.8482    0.3863 H   0  0  0  0  0
    9.5561   -0.5001    0.0432 H   0  0  0  0  0
    7.9700   -1.0759    0.5037 H   0  0  0  0  0
    9.9346    0.4567    2.2989 H   0  0  0  0  0
    9.6663   -1.2809    2.2869 H   0  0  0  0  0
    7.2095   -0.8477    2.9169 H   0  0  0  0  0
    8.4421   -0.5723    4.1116 H   0  0  0  0  0
    6.1378    3.9374    1.8558 H   0  0  0  0  0
    7.3502    3.4533    5.9398 H   0  0  0  0  0
    8.0847    1.1878    5.4669 H   0  0  0  0  0
    6.5759    6.9425    4.9769 H   0  0  0  0  0
    7.9581    5.8430    5.0714 H   0  0  0  0  0
    6.4851    5.5628    6.0779 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5  6  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  7  1  0  0  0
  6 12  1  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
  9 31  1  0  0  0
 10 11  1  0  0  0
 10 32  1  0  0  0
 10 33  1  0  0  0
 11 12  2  0  0  0
 11 16  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 34  1  0  0  0
 14 15  1  0  0  0
 14 17  1  0  0  0
 15 16  2  0  0  0
 15 35  1  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 18 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL320136

>  <PubChem CID>
44341396

>  <Formula>
C15H21NO2

>  <Molecular Weight>
247.338000

>  <IUPAC Name>
N-[(3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulen-5-yl)methyl]acetamide

>  <XlogP>
2.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)NCC1CCCCC2=C1C=C(C=C2)OC

>  <Isomeric SMILES>
CC(=O)NCC1CCCCC2=C1C=C(C=C2)OC

>  <InChI Std. ID>
InChI=1S/C15H21NO2/c1-11(17)16-10-13-6-4-3-5-12-7-8-14(18-2)9-15(12)13/h7-9,13H,3-6,10H2,1-2H3,(H,16,17)

>  <InChI Key>
KVNZIXQURKBZBY-UHFFFAOYSA-N

