Molecule Editor

Molecule ID: FYI-1013682 Edit

Molecule Structure InChIKey: YWYMEMPSMUNEHG-CXUHLZMHSA-N

Molecule Structure SMILES String: Cc5ccc(CN(c2ccc(C(=O)/C=C/c1cccc(N(=O)=O)c1)cc2)c3ccnc4cc(Cl)ccc34)cc5

Download SDF Download SVG Structure in 2D SDF:

FYI-1013682
FYIcenter.com

 39 43  0  0  0  0  0  0  0  0999 V2000
   18.1866    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    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  2  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  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11 10  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 16  1  0  0  0  0
 19 18  2  0  0  0  0
 19 13  1  0  0  0  0
 20 11  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 30  2  0  0  0  0
 33 29  2  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 35 27  1  0  0  0  0
 36 24  2  0  0  0  0
 37 23  1  0  0  0  0
 38 37  2  0  0  0  0
 38 20  1  0  0  0  0
 39  6  2  0  0  0  0
 39  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013682-3D
FYIcenter.com

 63 67  0  0  0  0  0  0  0  0999 V2000
   -1.6986   -2.4530   -4.7975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2624   -1.8302   -3.5534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6435   -2.0375   -2.3206 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1269   -1.3978   -1.1801 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2260   -0.5212   -1.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6555    0.1752    0.0309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2058    1.5556   -0.0797 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1756    2.5705   -0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8818    2.3649   -0.5538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8817    3.3525   -0.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1516    4.6052    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1446    5.7063    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5147    6.8749    0.0157 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2989    5.3460    0.2096 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2372    6.3100    0.2326 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6807    6.0741    0.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5977    6.9850   -0.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9763    6.8218    0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4622    5.7498    0.7945 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5575    4.8503    1.3649 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0576    3.7235    2.1636 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2840    3.6089    2.2924 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2239    2.9496    2.6557 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1711    5.0114    1.1929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4311    4.8488    0.5364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4124    3.8388    0.5307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6188    1.8075   -0.2068 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9930    2.9967   -0.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3178    3.3443   -1.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3339    2.5595   -0.6640 N   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0418    1.3887   -0.0985 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1421    0.5798    0.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0026   -0.6894    0.6810 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3611   -1.7296    0.8256 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -7.7629   -1.1045    1.1178 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6642   -0.2532    0.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7170    0.9611    0.2257 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9090   -0.4045   -2.4588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4277   -1.0546   -3.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6292   -2.6643   -4.6764 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7907   -1.7639   -5.6433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2148   -3.3859   -5.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7712   -2.6824   -2.2412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6207   -1.5748   -0.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7983    0.2088    0.7263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3052   -0.5303    0.5086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6090    1.4331   -1.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0827    3.1209   -0.9577 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5512    4.3020    0.3279 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9416    7.3519    0.1047 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2467    7.8377   -0.7101 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6709    7.5354   -0.3922 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5372    5.6346    0.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4827    4.3164    1.6612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6786    5.8285    0.9451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3751    4.0708    0.9808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2525    3.6695   -1.2953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6031    4.2836   -1.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1322    0.9418   -0.1268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6351   -2.0760    1.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7729   -0.5716    1.4827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8091    0.2012   -2.5338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9623   -0.9354   -4.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  2  3  1  0  0  0  0
  2 39  2  0  0  0  0
  3  4  2  0  0  0  0
  3 43  1  0  0  0  0
  4  5  1  0  0  0  0
  4 44  1  0  0  0  0
  5  6  1  0  0  0  0
  5 38  2  0  0  0  0
  6  7  1  0  0  0  0
  6 45  1  0  0  0  0
  6 46  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  2  0  0  0  0
  9 10  2  0  0  0  0
  9 47  1  0  0  0  0
 10 11  1  0  0  0  0
 10 48  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 49  1  0  0  0  0
 15 16  1  0  0  0  0
 15 50  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  2  0  0  0  0
 17 18  2  0  0  0  0
 17 51  1  0  0  0  0
 18 19  1  0  0  0  0
 18 52  1  0  0  0  0
 19 20  2  0  0  0  0
 19 53  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  2  0  0  0  0
 24 54  1  0  0  0  0
 25 26  1  0  0  0  0
 25 55  1  0  0  0  0
 26 56  1  0  0  0  0
 27 28  1  0  0  0  0
 27 37  2  0  0  0  0
 28 29  2  0  0  0  0
 28 57  1  0  0  0  0
 29 30  1  0  0  0  0
 29 58  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 37  1  0  0  0  0
 32 33  2  0  0  0  0
 32 59  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 60  1  0  0  0  0
 36 37  1  0  0  0  0
 36 61  1  0  0  0  0
 38 39  1  0  0  0  0
 38 62  1  0  0  0  0
 39 63  1  0  0  0  0
M  END
$$$$