
 SCHEMBL2299352

 35 37  0  0  0  0  0  0  0  0999 V2000
    0.9250   -0.0656    0.1478 C   0  0  0  0  0
    2.3375   -0.4826    0.0482 C   0  0  0  0  0
    2.8330   -1.6975   -0.1011 N   0  0  0  0  0
    4.1895   -1.4892   -0.1412 C   0  0  0  0  0
    4.4548   -0.1345   -0.0094 C   0  0  0  0  0
    3.2680    0.5222    0.1120 O   0  0  0  0  0
    5.7178    0.3742   -0.0178 C   0  0  0  0  0
    6.7822   -0.5385   -0.1743 C   0  0  0  0  0
    8.1145    0.1299   -0.1718 C   0  0  0  0  0
    7.7749    1.6386   -0.0218 C   0  0  0  0  0
    6.2577    1.7632    0.1127 C   0  0  0  0  0
    5.5468    2.8791    0.3241 C   0  0  0  0  0
    6.1073    4.2558    0.4625 C   0  0  0  0  0
    5.5057    5.0802   -0.5550 N   0  0  0  0  0
    5.6991    6.4426   -0.5506 C   0  0  0  0  0
    6.3442    7.0346    0.3075 O   0  0  0  0  0
    5.0609    7.1535   -1.7122 C   0  0  0  0  0
    6.5974   -1.9161   -0.3084 C   0  0  0  0  0
    5.2678   -2.3866   -0.2881 C   0  0  0  0  0
    0.2624   -0.9357    0.1278 H   0  0  0  0  0
    0.6605    0.5869   -0.6893 H   0  0  0  0  0
    0.7507    0.4775    1.0813 H   0  0  0  0  0
    8.7165   -0.2236    0.6714 H   0  0  0  0  0
    8.6458   -0.0638   -1.1089 H   0  0  0  0  0
    8.1256    2.1865   -0.9042 H   0  0  0  0  0
    8.2803    2.0480    0.8602 H   0  0  0  0  0
    4.4667    2.8051    0.4312 H   0  0  0  0  0
    7.1931    4.2940    0.3338 H   0  0  0  0  0
    5.8655    4.6683    1.4479 H   0  0  0  0  0
    5.1712    4.6376   -1.4003 H   0  0  0  0  0
    4.2348    6.5700   -2.1294 H   0  0  0  0  0
    5.8117    7.3241   -2.4875 H   0  0  0  0  0
    4.6600    8.1115   -1.3688 H   0  0  0  0  0
    7.4372   -2.5934   -0.4211 H   0  0  0  0  0
    5.0626   -3.4482   -0.3877 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  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  4 19  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  9 10  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 31  1  0  0  0
 17 32  1  0  0  0
 17 33  1  0  0  0
 18 19  2  0  0  0
 18 34  1  0  0  0
 19 35  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2299352

>  <PubChem CID>
67354710

>  <Formula>
C15H16N2O2

>  <Molecular Weight>
256.305000

>  <IUPAC Name>
N-[2-(2-methyl-6,7-dihydrocyclopenta[g][1,3]benzoxazol-8-ylidene)ethyl]acetamide

>  <XlogP>
1.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NC2=C(O1)C3=C(CCC3=CCNC(=O)C)C=C2

>  <Isomeric SMILES>
CC1=NC2=C(O1)C3=C(CCC3=CCNC(=O)C)C=C2

>  <InChI Std. ID>
InChI=1S/C15H16N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-7H,3-4,8H2,1-2H3,(H,16,18)

>  <InChI Key>
AGFPOHCQQFJZBW-UHFFFAOYSA-N

