Molecule Editor

Molecule ID: FYI-1005762 Edit

Molecule Structure InChIKey: WMRCKLOBBWYGCQ-OTQYULQBSA-N

Molecule Structure SMILES String: CCN(CC)C(=O)[C@H]3C=C1c5cccc4NCC(CC1N(c2ccccc2)C3)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1005762
FYIcenter.com

 29 33  0  0  1  0  0  0  0  0999 V2000
    3.6303    9.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    8.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4202    8.4476    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4202    7.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    6.3517    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303    6.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    7.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0503    6.3517    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0503    4.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2605    4.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2605    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0503    2.1599    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    4.2558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303    4.9545    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7138    1.9580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8598    0.5684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1362    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3408    0.7932    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7306    0.6471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2988    1.9236    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2605    7.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4706    6.3517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6806    7.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6806    8.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4706    9.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2605    8.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    9.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  6  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 13  1  0  0  0  0
 14  9  1  0  0  0  0
 15 14  2  0  0  0  0
 15  6  1  0  0  0  0
 16 13  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
 19 12  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 11  1  0  0  0  0
 22  8  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  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
 27 22  1  0  0  0  0
 28  3  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005762-3D
FYIcenter.com

 58 62  0  0  1  0  0  0  0  0999 V2000
    2.2384   -0.8744    0.3177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6356   -1.3273   -0.0841 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1023   -0.7614   -1.3576 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8185   -1.4612   -2.6183 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7033   -2.9771   -2.5520 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4982    0.5838   -1.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5028    1.2006   -0.2377 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9358    1.2834   -2.6106 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4333    2.7012   -2.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2168    3.7638   -2.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6493    5.1299   -2.8406 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3553    5.5294   -2.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8562    6.7805   -2.9174 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6007    7.5946   -3.7808 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8699    7.1749   -4.0947 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7597    7.6822   -5.0944 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7905    6.5813   -5.1167 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8822    6.0973   -3.6694 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5300    4.8105   -3.2164 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6477    3.5530   -3.3716 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.2381    2.3734   -2.6714 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6153    2.1129   -2.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3544    1.6015   -1.7619 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7375    1.4086   -1.8566 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4070    1.7281   -3.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6883    2.2020   -4.1273 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3029    2.3638   -4.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4580    1.1125   -2.7946 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4257    6.1009   -3.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9562   -1.3410    1.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4947   -1.1485   -0.4356 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1891    0.2104    0.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6873   -2.4177   -0.1129 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3387   -1.0183    0.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6267   -1.2322   -3.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8943   -1.0391   -3.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5631   -3.4206   -2.0398 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6634   -3.3936   -3.5643 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7895   -3.2859   -2.0347 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4262    0.8231   -3.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3824    2.8156   -2.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6894    4.8770   -1.9553 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8495    7.0753   -2.6331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1754    8.4929   -4.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1483    8.5586   -4.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7417    6.9473   -5.5107 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4361    5.7812   -5.7885 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3462    6.9085   -3.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7676    4.9158   -2.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4947    4.7278   -3.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5587    3.3293   -4.4436 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8538    1.3859   -0.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2924    1.0301   -1.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4853    1.6106   -3.1019 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2025    2.4606   -5.0487 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7718    2.7249   -4.9120 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8360    0.3694   -2.0794 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6333    0.6937   -3.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  5 39  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 40  1  6  0  0  0
  9 10  2  0  0  0  0
  9 41  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 29  2  0  0  0  0
 12 13  2  0  0  0  0
 12 42  1  0  0  0  0
 13 14  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  2  0  0  0  0
 14 44  1  0  0  0  0
 15 16  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  1  0  0  0  0
 18 29  1  0  0  0  0
 18 48  1  0  0  0  0
 19 20  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 20 21  1  0  0  0  0
 20 51  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  2  0  0  0  0
 23 24  2  0  0  0  0
 23 52  1  0  0  0  0
 24 25  1  0  0  0  0
 24 53  1  0  0  0  0
 25 26  2  0  0  0  0
 25 54  1  0  0  0  0
 26 27  1  0  0  0  0
 26 55  1  0  0  0  0
 27 56  1  0  0  0  0
 28 57  1  0  0  0  0
 28 58  1  0  0  0  0
M  END
$$$$