Molecule Editor

Molecule ID: FYI-1013398 Edit

Molecule Structure InChIKey: VIWXMTHGDBFYCV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CCc2nc1ccccc1o2)Nc3ccc(Cl)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013398
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.9531    4.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    5.6959    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.4653    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    1.5036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 21 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013398-3D
FYIcenter.com

 34 36  0     0  0  0  0  0  0999 V2000
   -8.1232   -0.2293    0.0733 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.1444    0.3351    1.0685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5976    1.7872    0.1800 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2633    0.5868   -1.1807 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2244   -0.4587   -0.1021 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1626    1.2195    0.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1051    0.1032   -0.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5392    0.7168   -0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3813   -0.0781    0.6636 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4503    0.0771   -0.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3301    0.6015    0.0159 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4098   -0.5710    1.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6320   -0.2817   -1.3771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6378   -0.4037   -0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5815   -0.9242    0.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6929   -0.7834   -0.6093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3658   -1.5740   -0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2635    0.8194    0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7590   -1.5199   -0.1553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6566    0.8735    0.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4044   -0.2961    0.0217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0402    1.7356    0.9973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9825    1.9739   -0.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655   -0.6419    0.7053 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2217   -0.4098   -1.0478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8323   -1.3887   -0.2344 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3134   -0.6761    2.5306 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7293   -0.1769   -2.4526 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4241   -1.3168    1.3438 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6191   -1.0681   -1.1024 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8730   -2.5323   -0.3349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7566    1.7662    0.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3288   -2.4394   -0.2622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1474    1.8336    0.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 11  2  0  0  0  0
  4  8  2  0  0  0  0
  4 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 14  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 11  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 13  2  0  0  0  0
 12 15  1  0  0  0  0
 12 27  1  0  0  0  0
 13 16  1  0  0  0  0
 13 28  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  2  0  0  0  0
 15 29  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  1  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 18 32  1  0  0  0  0
 19 21  2  0  0  0  0
 19 33  1  0  0  0  0
 20 21  1  0  0  0  0
 20 34  1  0  0  0  0
M  END
$$$$