Molecule Editor

Molecule ID: FYI-1007576 Edit

Molecule Structure InChIKey: DBNKNZTWWHDYFH-AATRIKPKSA-N

Molecule Structure SMILES String: C#CCNC/C=C/C(=O)Nc3cc2c(Nc1ccc(F)c(Cl)c1)c(C#N)cnc2cc3OCC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007576
FYIcenter.com

 34 36  0  0  0  0  0  0  0  0999 V2000
   16.9741    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    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
   13.3368    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
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8497    4.9000    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
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    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 Cl  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
    3.6373    4.2000    0.0000 C   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
    1.2124    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    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
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  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
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 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
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 21 19  1  0  0  0  0
 22 21  1  0  0  0  0
 23 21  2  0  0  0  0
 23 16  1  0  0  0  0
 24 14  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  3  0  0  0  0
 27 24  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 29 13  2  0  0  0  0
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 31 30  2  0  0  0  0
 31 11  1  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007576-3D
FYIcenter.com

 55 57  0     0  0  0  0  0  0999 V2000
    3.2811   -2.9780    3.3517 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.2427   -5.4104    2.0144 F   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6239    4.2971    0.6337 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6920   -0.6061   -0.2573 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4702   -0.9820   -1.2952 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7483    2.9710   -0.6698 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5882    1.6890    0.2498 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7061   -1.0434   -0.4072 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9792   -1.0335   -2.1059 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9828    1.3309   -0.6478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8915    0.3559   -1.0809 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4605    2.6437   -0.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2492    2.0123    0.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6321    1.0245   -0.4108 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2143    3.3077    0.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5573    3.6120   -0.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2192    0.6900   -1.3056 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5932    2.0003   -1.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4133   -2.1018   -0.4525 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3014    4.9383    1.8658 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8269   -1.9978    0.8756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9435   -3.3200   -0.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
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 33 34  3  0  0  0  0
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M  END
$$$$