Molecule FYI-1016089

A

Molecule Summary:

ID: FYI-1016089
Names:
InChIKey: LMCQYRQNRDIMKH-UHFFFAOYSA-N
SMILES: O=C2NCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)NCCCCCCCCCCNC(=O)c3ccc2cc3

Received at FYIcenter.com on: 2025-11-13

Molecule ID: FYI-1016089 Edit

Molecule Structure InChIKey: LMCQYRQNRDIMKH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C2NCCCCCCCCCCNC(=O)c1ccc(cc1)C(=O)NCCCCCCCCCCNC(=O)c3ccc2cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016089
FYIcenter.com

 44 46  0  0  0  0  0  0  0  0999 V2000
   40.0104    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7979    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5855    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3731    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1606    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9482    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3109    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0985    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8861    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6737    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6737    7.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    3.5000    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    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 C   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    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    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
    2.4248    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    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
   24.2487    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  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
 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
 41 37  1  0  0  0  0
 42 41  2  0  0  0  0
 42 34  1  0  0  0  0
 43 17  1  0  0  0  0
 44 43  2  0  0  0  0
 44 14  1  0  0  0  0
 39  1  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016089-3D
FYIcenter.com

 96 98  0  0  0  0  0  0  0  0999 V2000
    0.4389    3.1746   -9.0063 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3349    3.9951   -8.0882 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3232    5.2683   -8.3706 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3492    5.8780   -9.8614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5293    6.9582  -10.3776 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3233    8.3503  -11.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4243    9.5129  -11.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1398   11.0495  -11.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8904   12.0189  -10.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5225   13.5566  -10.4579 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1238   14.2733   -9.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7530   15.7727   -9.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4855   16.2905   -7.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2957   17.6797   -7.3748 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8150   18.3689   -6.2866 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5056   19.5704   -6.1853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6623   17.7373   -5.2222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7802   18.4029   -3.9864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4019   17.7933   -2.8811 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9099   16.5000   -3.0053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9466   15.8936   -4.2503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3163   16.5058   -5.3388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2905   15.7264   -1.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0645   16.2032   -0.9665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7079   14.4875   -1.5992 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5675   13.9601   -2.3301 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0442   12.6392   -1.7890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9629   12.1239   -2.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4170   10.7804   -2.2862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3567   10.3166   -3.2723 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7607    8.9921   -2.8373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3424    8.5962   -3.8066 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0291    7.3372   -3.3205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2309    7.0022   -4.1941 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0576    5.9260   -3.5055 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8721    5.1504   -4.4277 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0061    3.7958   -4.3736 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1495    3.2830   -4.4570 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7597    2.9405   -4.5445 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8372    2.1891   -5.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9804    2.5160   -6.7759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9732    3.5355   -6.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6584    3.8946   -5.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5052    3.5336   -4.3003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2791    5.1618   -8.0653 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4599    4.9903  -10.5011 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6506    6.2845  -10.0494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2172    7.1702   -9.5577 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0987    6.3422  -11.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4382    8.0723  -12.3430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3165    8.7613  -11.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7026    9.4801   -9.9926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3269    9.2427  -11.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4929   11.2654  -12.4332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0680   11.2646  -11.3932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7127   11.6676   -9.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9726   11.9499  -10.6173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9045   14.0174  -11.3594 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4384   13.6777  -10.4445 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8085   13.7378   -8.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2169   14.1929   -9.2608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0560   16.3623   -9.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6713   15.8916   -8.8956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2043   15.6809   -6.9048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5558   16.1792   -7.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7389   18.2751   -7.9877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3381   19.3921   -3.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4334   18.3032   -1.9245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3992   14.9183   -4.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3577   15.9412   -6.2584 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9101   14.1040   -0.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7739   14.7150   -2.3289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8674   13.7883   -3.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8577   11.9065   -1.7139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6349   12.7730   -0.7813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1448   12.8526   -2.7943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3714   12.0252   -3.7496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2252   10.0420   -2.2335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9837   10.8686   -1.2832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5626   11.0713   -3.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7915   10.2146   -4.2747 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5354    8.2164   -2.8047 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3525    9.0859   -1.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0740    9.4098   -3.8799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0734    8.4402   -4.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3185    6.5020   -3.3294 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3527    7.4719   -2.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8578    7.8889   -4.3526 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8818    6.6841   -5.1835 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4353    5.2696   -2.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7474    6.3856   -2.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7076    5.6383   -4.7383 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6733    1.4863   -5.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1450    1.9727   -7.7017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2382    4.4432   -5.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2328    3.6845   -3.2662 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 42  1  0  0  0  0
  3  4  1  0  0  0  0
  3 45  1  0  0  0  0
  4  5  1  0  0  0  0
  4 46  1  0  0  0  0
  4 47  1  0  0  0  0
  5  6  1  0  0  0  0
  5 48  1  0  0  0  0
  5 49  1  0  0  0  0
  6  7  1  0  0  0  0
  6 50  1  0  0  0  0
  6 51  1  0  0  0  0
  7  8  1  0  0  0  0
  7 52  1  0  0  0  0
  7 53  1  0  0  0  0
  8  9  1  0  0  0  0
  8 54  1  0  0  0  0
  8 55  1  0  0  0  0
  9 10  1  0  0  0  0
  9 56  1  0  0  0  0
  9 57  1  0  0  0  0
 10 11  1  0  0  0  0
 10 58  1  0  0  0  0
 10 59  1  0  0  0  0
 11 12  1  0  0  0  0
 11 60  1  0  0  0  0
 11 61  1  0  0  0  0
 12 13  1  0  0  0  0
 12 62  1  0  0  0  0
 12 63  1  0  0  0  0
 13 14  1  0  0  0  0
 13 64  1  0  0  0  0
 13 65  1  0  0  0  0
 14 15  1  0  0  0  0
 14 66  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 67  1  0  0  0  0
 19 20  1  0  0  0  0
 19 68  1  0  0  0  0
 20 21  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 21 69  1  0  0  0  0
 22 70  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 71  1  0  0  0  0
 26 27  1  0  0  0  0
 26 72  1  0  0  0  0
 26 73  1  0  0  0  0
 27 28  1  0  0  0  0
 27 74  1  0  0  0  0
 27 75  1  0  0  0  0
 28 29  1  0  0  0  0
 28 76  1  0  0  0  0
 28 77  1  0  0  0  0
 29 30  1  0  0  0  0
 29 78  1  0  0  0  0
 29 79  1  0  0  0  0
 30 31  1  0  0  0  0
 30 80  1  0  0  0  0
 30 81  1  0  0  0  0
 31 32  1  0  0  0  0
 31 82  1  0  0  0  0
 31 83  1  0  0  0  0
 32 33  1  0  0  0  0
 32 84  1  0  0  0  0
 32 85  1  0  0  0  0
 33 34  1  0  0  0  0
 33 86  1  0  0  0  0
 33 87  1  0  0  0  0
 34 35  1  0  0  0  0
 34 88  1  0  0  0  0
 34 89  1  0  0  0  0
 35 36  1  0  0  0  0
 35 90  1  0  0  0  0
 35 91  1  0  0  0  0
 36 37  1  0  0  0  0
 36 92  1  0  0  0  0
 37 38  2  0  0  0  0
 37 39  1  0  0  0  0
 39 40  1  0  0  0  0
 39 44  2  0  0  0  0
 40 41  2  0  0  0  0
 40 93  1  0  0  0  0
 41 42  1  0  0  0  0
 41 94  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 43 95  1  0  0  0  0
 44 96  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-04-13, 545👍, 0💬