Molecule FYI-1016134

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Molecule Summary:

ID: FYI-1016134
Names:
InChIKey: AVFMSQAMZZRAJJ-UHFFFAOYSA-N
SMILES: O=C1CCCCCCCCCCCNC(=O)CCCCCN1

Received at FYIcenter.com on: 2025-11-25

Molecule ID: FYI-1016134 Edit

Molecule Structure InChIKey: AVFMSQAMZZRAJJ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCCCCCCCCNC(=O)CCCCCN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016134
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.8849    1.6356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0634    1.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2911    1.5151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4625    0.9492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7524    1.0454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0542    2.9254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.6878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8717    4.6535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4631    5.8885    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0141    2.3387    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4277    3.5207    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5600    4.8335    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7235    5.8540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5430    7.1611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3105    7.6321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6283    7.1976    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7927    8.5069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3186    9.7170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4775   10.3478    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5866   11.6628    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6893    0.0051    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8212    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  1  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
  9 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 15  1  0  0  0  0
  5 21  2  0  0  0  0
  5 22  1  0  0  0  0
  4 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016134-3D
FYIcenter.com

 56 56  0     0  0  0  0  0  0999 V2000
    2.9723   -0.5807   -1.8904 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5124   -2.0186    0.9925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2893   -1.0817   -1.1224 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7072   -1.2519    0.2091 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7757    2.1160    1.2003 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0280    2.9975    1.1440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4313    2.7370    0.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6292    3.2099   -0.2504 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6787    1.8615    0.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0102    1.9330   -1.0066 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9253    2.5537    0.0938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0843    1.1017   -0.2948 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2189    1.7676    0.3449 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4270   -0.1828   -1.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5882    0.7845   -0.7658 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5880   -3.4001    0.7118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8930   -3.0733    0.9277 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4466   -2.1365    0.6119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5818   -2.5862   -0.3489 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9049   -2.4599    0.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6640   -0.4078   -0.8886 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8946   -1.8827   -0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9849    1.1219    0.7899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5220    1.9624    2.2570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7887    2.5650    1.8043 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7903    3.9804    1.5703 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6231    3.7319    0.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2203    2.8689   -0.5750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5214    3.8406   -0.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9245    3.7822   -0.8651 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8339    1.6359    1.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5109    0.9105    0.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3860    2.2196   -1.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1119    1.3320   -1.1844 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0242    3.5265    0.5925 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8011    2.7617   -0.9754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9942    1.7042   -0.1891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7519    0.8408    0.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1774    1.2658    1.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0387    2.4948    0.4101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2471   -0.7023   -0.5447 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7398    0.0379   -2.0775 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    0.4007   -0.5846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6178    1.3007   -1.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9432   -4.0003    1.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7058   -4.0147   -0.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9885   -2.3294    1.7284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4097   -3.9749    1.2799 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0530   -1.4736   -0.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3881   -1.5760    1.5536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7853   -3.4338   -1.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9377   -1.8894   -0.8949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3419   -3.0829    1.0877 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9835   -2.9966   -0.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7302   -1.0665   -1.9703 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3246   -1.0326    0.9851 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  2  0  0  0  0
  2 22  2  0  0  0  0
  3 14  1  0  0  0  0
  3 22  1  0  0  0  0
  3 55  1  0  0  0  0
  4 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 56  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 14  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 15  1  0  0  0  0
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 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 15 21  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 45  1  0  0  0  0
 16 46  1  0  0  0  0
 17 19  1  0  0  0  0
 17 47  1  0  0  0  0
 17 48  1  0  0  0  0
 18 20  1  0  0  0  0
 18 49  1  0  0  0  0
 18 50  1  0  0  0  0
 19 22  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 20 53  1  0  0  0  0
 20 54  1  0  0  0  0
M  END
$$$$

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