Molecule Editor

Molecule ID: FYI-1004159 Edit

Molecule Structure InChIKey: OVOYFFMFJBJCRU-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccccc1N(CC(=O)NC2CCCCC2)C(=O)Cc3ccc(C(=O)NO)cc3F

Download SDF Download SVG Structure in 2D SDF:

FYI-1004159
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
   10.9120    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 C   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-1004159-3D
FYIcenter.com

 60 62  0  0  0  0  0  0  0  0999 V2000
    1.4050   -0.0796   -1.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5486    0.0573   -0.7455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1614    1.2672   -0.5779 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9736    1.4857    0.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0647    0.5098    1.5146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3815   -0.6994    1.3582 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4011   -0.9635    0.2157 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9269   -2.3015    0.0185 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0650   -3.3787    0.2470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3359   -4.4413   -0.8337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8729   -5.5056   -0.5207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0929   -4.1137   -2.1504 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3521   -5.0840   -3.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8233   -6.0641   -3.3783 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6305   -7.0353   -4.5441 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3493   -6.2992   -5.8486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8588   -5.3800   -5.7054 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6799   -4.3864   -4.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2952   -2.5178    0.3306 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0837   -1.5976    0.5668 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8315   -3.9501    0.2414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4855   -4.5867    1.4597 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8784   -4.5663    1.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5110   -5.4561    2.5070 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7656   -6.3624    3.2808 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5044   -7.4050    4.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7368   -7.4238    4.0796 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7726   -8.3876    4.6957 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5322   -9.4527    5.2454 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3728   -6.2821    3.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7555   -5.4064    2.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4196   -5.4380    2.2509 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.3870    0.8400   -2.5685 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0419   -0.8898   -2.6071 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4478   -0.2531   -1.6932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0962    2.0537   -1.3286 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5256    2.4174    0.6355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6765    0.6846    2.3957 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4683   -1.4390    2.1497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0544   -2.9447    0.4363 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2319   -3.9038    1.1575 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3961   -3.2503   -2.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2361   -5.6681   -2.9358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9537   -6.6402   -2.4542 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7542   -5.5032   -3.5282 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2012   -7.7167   -4.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5261   -7.6566   -4.6598 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1736   -7.0226   -6.6533 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2283   -5.7097   -6.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7575   -5.9869   -5.5356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0181   -4.8362   -6.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5995   -3.7987   -4.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1163   -3.6774   -4.8114 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5839   -3.9271   -0.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0851   -4.6469   -0.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4955   -3.9136    1.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5996   -5.4693    2.5546 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7998   -8.5955    4.5092 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4530   -9.1861    5.0274 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7336   -6.9138    3.8370 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 33  1  0  0  0  0
  1 34  1  0  0  0  0
  1 35  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 36  1  0  0  0  0
  4  5  1  0  0  0  0
  4 37  1  0  0  0  0
  5  6  2  0  0  0  0
  5 38  1  0  0  0  0
  6  7  1  0  0  0  0
  6 39  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 42  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 46  1  0  0  0  0
 15 47  1  0  0  0  0
 16 17  1  0  0  0  0
 16 48  1  0  0  0  0
 16 49  1  0  0  0  0
 17 18  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 18 52  1  0  0  0  0
 18 53  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 22 23  1  0  0  0  0
 22 31  2  0  0  0  0
 23 24  2  0  0  0  0
 23 56  1  0  0  0  0
 24 25  1  0  0  0  0
 24 57  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  2  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 58  1  0  0  0  0
 29 59  1  0  0  0  0
 30 31  1  0  0  0  0
 30 60  1  0  0  0  0
 31 32  1  0  0  0  0
M  END
$$$$