Molecule Editor

Molecule ID: FYI-1004158 Edit

Molecule Structure InChIKey: RSKNTCAOZGYHHM-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CN(C(=O)Cc1ccc(C(=O)NO)cc1F)c2ccccc2F)NC3CCCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004158
FYIcenter.com

 32 34  0  0  0  0  0  0  0  0999 V2000
    4.8499    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7618    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5494    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.8000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   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
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
  2  1  2  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  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  8  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 12  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 17  7  1  0  0  0  0
 18  5  2  0  0  0  0
 19  4  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 26  2  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  1  0  0  0  0
 32 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004158-3D
FYIcenter.com

 57 59  0  0  0  0  0  0  0  0999 V2000
    4.8181   -0.0658    0.6047 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8851    0.4171    1.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6939    1.1021    0.5378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9049    2.1187    1.2551 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5024    2.0628    1.2645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1149    1.0858    0.8377 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2251    3.2891    1.8319 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6288    3.5225    1.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7402    3.0972    2.0624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0334    3.4145    1.6344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2281    4.1648    0.4674 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6152    4.5058    0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.1218    6.0460   -0.8936 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1255    4.5600   -0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8434    4.2315    0.1374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7950    4.6483   -0.5867 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6136    3.1571    1.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3054    4.1297    1.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9658    5.1574    1.8546 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9530    5.2038    3.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2493    4.2427    3.9771 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5776    3.2407    3.2982 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8986    2.3199    3.9995 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7825    0.2475    2.6195 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7502   -0.5285    3.4055 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3447   -2.0112    3.4577 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2297   -2.8377    4.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2853   -2.2370    5.7927 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8649    0.0576    4.8238 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$