Molecule Editor

Molecule ID: FYI-1005633 Edit

Molecule Structure InChIKey: IXJWFBLTDRQQEU-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(c1cccc(F)c1)C6C3c2ccccc2C=CN3C(C(=O)c4cccc(F)c4)C7c5ccccc5C=CN67

Download SDF Download SVG Structure in 2D SDF:

FYI-1005633
FYIcenter.com

 40 46  0  0  0  0  0  0  0  0999 V2000
   10.9120    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    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
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 O   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
    6.0623    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 N   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
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2747    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    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
    3.6373    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  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  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 11  1  0  0  0  0
 20 15  1  0  0  0  0
 21 12  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 10  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 22  1  0  0  0  0
 31 26  1  0  0  0  0
 32 21  1  0  0  0  0
 33 32  2  0  0  0  0
 34 32  1  0  0  0  0
 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 38  2  0  0  0  0
 40 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005633-3D
FYIcenter.com

 64 70  0  0  1  0  0  0  0  0999 V2000
    3.3929    0.7630    1.4888 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4814    0.9263    0.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2543    1.5707    1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1657    2.0136    0.4724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0036    2.4622    1.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0825    2.4791    2.5127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0041    2.0867    3.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0704    2.1042    4.6052 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1587    1.6489    2.6448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315    0.4149   -0.8648 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0648   -1.0383   -1.2314 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.6296   -1.3461   -1.6431 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3102   -2.0319   -2.8304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9990   -2.4711   -3.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0189   -2.1588   -2.1769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7052   -1.5469   -0.9656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3667   -1.2819   -0.6614 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0897   -1.2783    0.7324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3652   -1.6387    0.9838 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3334   -1.8445   -0.0218 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8423   -1.9743    0.2257 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1823   -3.4666    0.0522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4605   -3.9833   -1.0277 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1853   -4.3447    1.2721 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2876   -4.9495    3.4294 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4011   -4.7186    4.4065 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.2804   -4.1389    2.3071 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7554   -1.0843   -0.7901 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2695   -1.0063   -0.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0784   -2.1601   -0.4001 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4569   -2.0860   -0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0686   -0.8542    0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3066    0.3037   -0.0807 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9280    0.2356   -0.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9301    1.4491   -0.9640 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1515    0.3085   -1.0703 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1908    1.9961   -0.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8592    2.7753    0.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0037    2.7858    3.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  2  0  0  0  0
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  2 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  5  2  0  0  0  0
  4 41  1  0  0  0  0
  5  6  1  0  0  0  0
  5 42  1  0  0  0  0
  6  7  2  0  0  0  0
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 31 58  1  0  0  0  0
 32 33  1  0  0  0  0
 32 37  2  0  0  0  0
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 33 59  1  0  0  0  0
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M  END
$$$$