Molecule Editor

Molecule ID: FYI-1015465 Edit

Molecule Structure InChIKey: KCGWYIJHZOGFPC-UHFFFAOYSA-N

Molecule Structure SMILES String: CCc2ccc(NC(=O)C1=NCC(Cl)N=C1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015465
FYIcenter.com

 18 19  0  0  0  0  0  0  0  0999 V2000
   10.9119    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  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
 16 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015465-3D
FYIcenter.com

 32 33  0  0  1  0  0  0  0  0999 V2000
    1.2011   -0.6716   -0.2517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5822   -0.0916    0.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0483    0.7853   -1.1084 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7039    2.1361   -1.1040 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0603    2.9619   -2.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7561    2.4672   -3.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0785    3.2735   -4.3886 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7151    4.5967   -4.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0660    5.3094   -3.7975 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2134    5.2617   -5.8207 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8426    4.5434   -6.6922 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4035    5.2351   -7.8690 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1383    6.7410   -8.0475 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.2220    7.0462   -9.5555 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.4191    7.4251   -6.9841 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9932    6.7329   -5.9978 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1355    1.1196   -3.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7790    0.2827   -2.1926 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8552   -1.2529    0.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2180   -1.3324   -1.1252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4653    0.1168   -0.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3039   -0.8954    0.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5454    0.4995    0.9483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1385    2.5603   -0.2779 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7538    4.0004   -2.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5929    2.8557   -5.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1032    4.6755   -8.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4913    5.1010   -7.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0997    7.2475   -8.1859 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4231    7.2211   -5.1897 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6972    0.6930   -4.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0663   -0.7660   -2.2154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 22  1  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  2  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  2  0  0  0  0
  7  8  1  0  0  0  0
  7 26  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 29  1  0  0  0  0
 15 16  2  0  0  0  0
 16 30  1  0  0  0  0
 17 18  1  0  0  0  0
 17 31  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
$$$$