Molecule Editor

Molecule ID: FYI-1005623 Edit

Molecule Structure InChIKey: XROLZBJOFCCIFO-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(c1ccccc1)C6C3c2ccccc2C=CN3C(C(=O)c4ccccc4)C7c5ccccc5C=CN67

Download SDF Download SVG Structure in 2D SDF:

FYI-1005623
FYIcenter.com

 38 44  0  0  0  0  0  0  0  0999 V2000
    8.4870    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   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    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    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    4.9000    0.0000 O   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
    3.6373    2.1000    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
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1186    2.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   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
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 10 16  1  0  0  0  0
 10 12  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 15 20  2  0  0  0  0
 14 17  2  0  0  0  0
 11 21  1  0  0  0  0
 16 22  1  0  0  0  0
 21 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 21  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  2  0  0  0  0
 11 32  1  0  0  0  0
 32 33  1  0  0  0  0
 23 34  2  0  0  0  0
 33 34  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 32 38  2  0  0  0  0
 33 35  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005623-3D
FYIcenter.com

 64 70  0     1  0  0  0  0  0999 V2000
    1.7182   -0.7190    1.7959 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7200    0.7191   -1.7963 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0596   -1.3031   -0.5158 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.0593    1.3037    0.5145 N   0  0  3  0  0  0  0  0  0  0  0  0
   -0.9164   -1.0113    0.5611 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9168    1.0116   -0.5624 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2834   -0.4879   -0.5327 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2829    0.4883    0.5320 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1381   -1.9280    0.5285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1385    1.9283   -0.5300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1912   -2.2686   -1.4726 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1915    2.2698    1.4705 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1278   -0.8770    0.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1284    0.8776   -0.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2991   -2.8932   -0.4865 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2994    2.8940    0.4845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2792   -3.0429   -1.5245 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2793    3.0443    1.5222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1122   -1.8357    1.5358 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1132    1.8351   -1.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4780   -1.4619    0.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4785    1.4621   -0.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4300   -3.7200   -0.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4306    3.7204    0.4930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2345   -2.6644    1.5206 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2356    2.6634   -1.5216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3950   -3.6023    0.5047 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3961    3.6017   -0.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6905   -2.1934   -0.7351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6902    2.1932    0.7368 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4637   -1.2498    1.3502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4652    1.2494   -1.3476 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9542   -2.7411   -0.9559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9540    2.7400    0.9591 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7275   -1.7974    1.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7290    1.7962   -1.1254 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9727   -2.5430   -0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9734    2.5416    0.0279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4455   -1.2427    1.5219 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4456    1.2425   -1.5232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8227   -0.6722   -1.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8216    0.6723    1.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5816   -2.3636   -2.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5814    2.3652    2.2247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4121   -3.7787   -2.3087 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4120    3.7805    2.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0039   -1.1180    2.3449 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0050    1.1172   -2.3457 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5681   -4.4658   -1.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5686    4.4665    1.2722 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9822   -2.5786    2.3036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9838    2.5770   -2.3042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2687   -4.2473    0.4939 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2702    4.2463   -0.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9186   -2.4083   -1.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9175    2.4086    1.4647 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2874   -0.6666    2.2488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2896    0.6662   -2.2465 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1430   -3.3301   -1.8487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1423    3.3287    1.8523 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5209   -1.6424    1.8546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5231    1.6407   -1.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9561   -2.9711   -0.1946 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9569    2.9690    0.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 14  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3 11  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  8  1  0  0  0  0
  5  9  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 40  1  0  0  0  0
  7 13  1  0  0  0  0
  7 41  1  0  0  0  0
  8 14  1  0  0  0  0
  8 42  1  0  0  0  0
  9 15  1  0  0  0  0
  9 19  2  0  0  0  0
 10 16  1  0  0  0  0
 10 20  2  0  0  0  0
 11 17  2  0  0  0  0
 11 43  1  0  0  0  0
 12 18  2  0  0  0  0
 12 44  1  0  0  0  0
 13 21  1  0  0  0  0
 14 22  1  0  0  0  0
 15 17  1  0  0  0  0
 15 23  2  0  0  0  0
 16 18  1  0  0  0  0
 16 24  2  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 25  1  0  0  0  0
 19 47  1  0  0  0  0
 20 26  1  0  0  0  0
 20 48  1  0  0  0  0
 21 29  2  0  0  0  0
 21 31  1  0  0  0  0
 22 30  2  0  0  0  0
 22 32  1  0  0  0  0
 23 27  1  0  0  0  0
 23 49  1  0  0  0  0
 24 28  1  0  0  0  0
 24 50  1  0  0  0  0
 25 27  2  0  0  0  0
 25 51  1  0  0  0  0
 26 28  2  0  0  0  0
 26 52  1  0  0  0  0
 27 53  1  0  0  0  0
 28 54  1  0  0  0  0
 29 33  1  0  0  0  0
 29 55  1  0  0  0  0
 30 34  1  0  0  0  0
 30 56  1  0  0  0  0
 31 35  2  0  0  0  0
 31 57  1  0  0  0  0
 32 36  2  0  0  0  0
 32 58  1  0  0  0  0
 33 37  2  0  0  0  0
 33 59  1  0  0  0  0
 34 38  2  0  0  0  0
 34 60  1  0  0  0  0
 35 37  1  0  0  0  0
 35 61  1  0  0  0  0
 36 38  1  0  0  0  0
 36 62  1  0  0  0  0
 37 63  1  0  0  0  0
 38 64  1  0  0  0  0
M  END
$$$$