Molecule Editor

Molecule ID: FYI-1015466 Edit

Molecule Structure InChIKey: ASRPLUWMHIVQDW-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2ccc(NC(=O)C1=NCC(Cl)N=C1)cc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015466
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
   10.9119    4.9000    0.0000 Cl  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
    8.4871    4.9000    0.0000 N   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
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 N   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
    2.4249    2.8000    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
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015466-3D
FYIcenter.com

 29 30  0  0  1  0  0  0  0  0999 V2000
    2.5006   -0.1396   -0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0049   -0.0302   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3882    1.2111    0.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0047    1.3190    0.1402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8159    0.1919   -0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2269    0.2545   -0.0406 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9956    1.3923    0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6291    2.5393    0.3193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4915    1.1756   -0.0756 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9251   -0.0330   -0.2259 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3624   -0.2137   -0.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2979    1.0003   -0.3800 C   0  0  3  0  0  0  0  0  0  0  0  0
   -9.3500    0.8415    1.0575 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.6665    2.3129   -0.2998 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3985    2.3635   -0.1281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1993   -1.0541   -0.1674 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1996   -1.1654   -0.1653 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9709    0.8405    0.1275 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8499   -0.5376   -0.9736 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8366   -0.7908    0.7956 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9827    2.1147    0.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4181    2.3144    0.2587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7480   -0.6058   -0.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7211   -1.0426    0.1110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4294   -0.5802   -1.5431 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9768    1.0046   -1.2393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9014    3.3419   -0.0182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7904   -1.9585   -0.2909 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6587   -2.1441   -0.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  2  0  0  0  0
  3  4  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  2  0  0  0  0
  6  7  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 24  1  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 26  1  0  0  0  0
 14 15  2  0  0  0  0
 15 27  1  0  0  0  0
 16 17  1  0  0  0  0
 16 28  1  0  0  0  0
 17 29  1  0  0  0  0
M  END
$$$$