Molecule FYI-1014297

A

Molecule Summary:

ID: FYI-1014297
Names:
InChIKey: SGTNSNPWRIOYBX-UHFFFAOYSA-N
SMILES: COc2ccc(CCN(C)CCCC(C#N)(c1ccc(OC)c(OC)c1)C(C)C)cc2OC

Received at FYIcenter.com on: 2025-03-25

Molecule ID: FYI-1014297 Edit

Molecule Structure InChIKey: SGTNSNPWRIOYBX-UHFFFAOYSA-N

Molecule Structure SMILES String: COc2ccc(CCN(C)CCCC(C#N)(c1ccc(OC)c(OC)c1)C(C)C)cc2OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1014297
FYIcenter.com

 33 34  0  0  0  0  0  0  0  0999 V2000
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.8000    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
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9740    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3989    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 O   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
    3.6372    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    7.0000    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  2  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  8  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 13  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
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  1  0  0  0  0
 20 14  1  0  0  0  0
 21 20  1  0  0  0  0
 22  4  1  0  0  0  0
 23 22  3  0  0  0  0
 24  4  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
 29 24  1  0  0  0  0
 30 27  1  0  0  0  0
 31 30  1  0  0  0  0
 32 26  1  0  0  0  0
 33 32  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014297-3D
FYIcenter.com

 71 72  0     1  0  0  0  0  0999 V2000
   -3.5831    3.3232   -1.6185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3283    4.1126   -0.1973 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7276   -0.5555   -0.3884 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0572    2.0788    0.1930 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3804   -3.2136   -0.7030 N   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5814   -1.6169   -1.0157 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4326   -1.1420    0.4653 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.8232   -1.3518    1.9900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3501   -2.1978    0.0388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6371   -1.9031   -1.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8639    0.2851    0.2828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6593   -3.0096   -1.7043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2708   -2.7824    2.3370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9057   -0.3714    2.4800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6416   -1.3997   -0.3696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4826    1.1756   -0.5946 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7325    0.6812    0.9959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4085   -2.1768   -0.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9699    2.4625   -0.7589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9816   -4.5408   -0.8468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2197    1.9680    0.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1364   -1.9898    0.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8384    2.8587   -0.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1836   -0.9084    0.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4883   -1.2297    0.0606 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8472    0.4136    0.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4568   -0.2292   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7339    2.8400   -2.3085 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8158    1.4140    0.6442 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1205    1.0928    0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1697    4.4379    0.5682 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9886   -1.9291   -0.6698 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6314    3.4033    0.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9342   -1.1655    2.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5892   -2.2571    0.8280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8046   -3.1956   -0.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1195   -0.9410   -1.2659 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3899   -1.8158   -2.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2314   -2.7914   -2.6916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2513   -3.9270   -1.8244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4777   -3.5097    2.1410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5150   -2.8602    3.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1601   -3.0801    1.7728 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0924   -0.5131    3.5506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8565   -0.5217    1.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6019    0.6708    2.3455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3575    0.8509   -1.1381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2257    0.0030    1.6763 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9692   -1.2068   -1.0697 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1184   -2.3997   -1.6170 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2208   -5.3196   -0.7191 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7358   -4.7284   -0.0763 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4488   -4.6794   -1.8287 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4174   -1.7331    1.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6175   -2.9186    0.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3378    2.2059    1.4161 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6895   -2.2734   -0.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8336    0.6750    1.0175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0905    3.6553   -2.9469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5500    2.6013   -1.6179 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4871    2.0049   -2.9731 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4822    2.4177    0.8844 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3753    4.4090    1.6437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6863    3.8130    0.2905 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0987    5.4709    0.3236 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8437   -2.5575    0.2157 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4114   -2.2817   -1.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0461   -2.0063   -0.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5024    4.0571    0.3944 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3054    3.4857    1.5499 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8721    3.7610   -0.1964 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  1 28  1  0  0  0  0
  2 23  1  0  0  0  0
  2 31  1  0  0  0  0
  3 27  1  0  0  0  0
  3 32  1  0  0  0  0
  4 30  1  0  0  0  0
  4 33  1  0  0  0  0
  5 12  1  0  0  0  0
  5 18  1  0  0  0  0
  5 20  1  0  0  0  0
  6 15  3  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 15  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 13 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 16 19  1  0  0  0  0
 16 47  1  0  0  0  0
 17 21  2  0  0  0  0
 17 48  1  0  0  0  0
 18 22  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 23  2  0  0  0  0
 20 51  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 23  1  0  0  0  0
 21 56  1  0  0  0  0
 22 24  1  0  0  0  0
 22 54  1  0  0  0  0
 22 55  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 57  1  0  0  0  0
 26 29  2  0  0  0  0
 26 58  1  0  0  0  0
 27 30  2  0  0  0  0
 28 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
 29 30  1  0  0  0  0
 29 62  1  0  0  0  0
 31 63  1  0  0  0  0
 31 64  1  0  0  0  0
 31 65  1  0  0  0  0
 32 66  1  0  0  0  0
 32 67  1  0  0  0  0
 32 68  1  0  0  0  0
 33 69  1  0  0  0  0
 33 70  1  0  0  0  0
 33 71  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-11, 1193👍, 0💬