
 CHEMBL363321

 39 41  0  0  0  0  0  0  0  0999 V2000
    1.9531    0.0738    1.8549 C   0  0  0  0  0
    2.6899    0.5352    0.6254 C   0  0  0  0  0
    2.5057    0.0188   -0.4727 O   0  0  0  0  0
    3.5681    1.5673    0.8456 N   0  0  0  0  0
    4.3983    2.1093   -0.2096 C   0  0  0  0  0
    5.7446    2.7141    0.2768 C   0  0  0  0  0
    6.7268    1.6135    0.7374 C   0  0  0  0  0
    6.2966    0.8833    1.9836 C   0  0  0  0  0
    5.9200   -0.4669    1.9250 C   0  0  0  0  0
    5.4565   -1.1227    3.0644 C   0  0  0  0  0
    5.3645   -0.4365    4.2714 C   0  0  0  0  0
    5.7497    0.9024    4.3427 C   0  0  0  0  0
    6.2261    1.5709    3.2043 C   0  0  0  0  0
    6.7180    2.9919    3.3013 C   0  0  0  0  0
    5.9302    4.0373    2.5376 C   0  0  0  0  0
    5.6718    5.2446    3.2288 C   0  0  0  0  0
    5.0512    6.3285    2.6126 C   0  0  0  0  0
    4.6825    6.2368    1.2818 C   0  0  0  0  0
    4.9283    5.0576    0.5795 C   0  0  0  0  0
    5.5441    3.9335    1.1831 C   0  0  0  0  0
    2.3835    0.4945    2.7673 H   0  0  0  0  0
    2.0177   -1.0165    1.9183 H   0  0  0  0  0
    0.9062    0.3782    1.7808 H   0  0  0  0  0
    3.6246    1.9885    1.7663 H   0  0  0  0  0
    3.7895    2.8639   -0.7199 H   0  0  0  0  0
    4.5967    1.3227   -0.9480 H   0  0  0  0  0
    6.2232    3.1224   -0.6281 H   0  0  0  0  0
    6.8567    0.8920   -0.0806 H   0  0  0  0  0
    7.7251    2.0405    0.8984 H   0  0  0  0  0
    5.9617   -1.0102    0.9830 H   0  0  0  0  0
    5.1600   -2.1668    3.0061 H   0  0  0  0  0
    5.0022   -0.9465    5.1602 H   0  0  0  0  0
    5.6877    1.4173    5.2989 H   0  0  0  0  0
    6.7472    3.2656    4.3650 H   0  0  0  0  0
    7.7663    3.0383    2.9783 H   0  0  0  0  0
    5.9762    5.3561    4.2684 H   0  0  0  0  0
    4.8731    7.2450    3.1679 H   0  0  0  0  0
    4.2121    7.0805    0.7833 H   0  0  0  0  0
    4.6395    5.0257   -0.4708 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  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5  6  1  0  0  0
  5 25  1  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 20  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 13  1  0  0  0
  9 10  1  0  0  0
  9 30  1  0  0  0
 10 11  2  0  0  0
 10 31  1  0  0  0
 11 12  1  0  0  0
 11 32  1  0  0  0
 12 13  2  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 39  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL363321

>  <PubChem CID>
11173131

>  <Formula>
C18H19NO

>  <Molecular Weight>
265.356000

>  <IUPAC Name>
N-(6,11-dihydro-5H-dibenzo[2,1-b:1',2'-f][7]annulen-5-ylmethyl)acetamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CC(=O)NCC1CC2=CC=CC=C2CC3=CC=CC=C13

>  <Isomeric SMILES>
CC(=O)NCC1CC2=CC=CC=C2CC3=CC=CC=C13

>  <InChI Std. ID>
InChI=1S/C18H19NO/c1-13(20)19-12-17-11-15-7-3-2-6-14(15)10-16-8-4-5-9-18(16)17/h2-9,17H,10-12H2,1H3,(H,19,20)

>  <InChI Key>
AXRQCZVGZICJMH-UHFFFAOYSA-N

