Molecule FYI-1001412

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Molecule Summary:

ID: FYI-1001412
SMILES: CCCC(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2

Received at FYIcenter.com on: 2022-07-18

Molecule ID: FYI-1001412 Edit

Molecule Structure SMILES String: CCCC(=O)N1CCN(CC1)C/C=C/C2=CC=CC=C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1001412
FYIcenter.com

 20 21  0  0  0  0  0  0  0  0999 V2000
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    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  2  0  0  0  0
  6  4  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
 11  6  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001412-3D
FYIcenter.com

 44 45  0  0  0  0  0  0  0  0999 V2000
    1.6621    1.4925   -1.1894 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9472    0.8941   -0.6402 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2693   -0.4293   -1.3291 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5417   -1.0674   -0.7937 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9833   -0.7617    0.3148 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1325   -2.0500   -1.5715 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7523   -2.4147   -2.9406 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6748   -3.9426   -3.1054 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8831   -4.6781   -2.6682 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2077   -4.2687   -1.2795 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3204   -2.7436   -1.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0416   -4.4755   -3.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7665   -4.9433   -4.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8385   -4.1517   -6.0301 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4715   -4.5824   -7.3837 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4498   -5.5148   -7.6118 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0890   -5.8761   -8.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7359   -5.2940   -9.9992 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7363   -4.3485   -9.7866 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0997   -3.9895   -8.4859 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4792    2.4749   -0.7436 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8059    0.8491   -0.9641 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7194    1.6177   -2.2757 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8543    0.7577    0.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7733    1.5965   -0.8045 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3668   -0.2259   -2.3979 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4523   -1.1446   -1.1739 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5051   -1.9856   -3.6121 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7877   -1.9918   -3.2251 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4062   -4.1885   -4.1390 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8313   -4.3053   -2.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1264   -4.7631   -0.9430 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4091   -4.6482   -0.6274 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1875   -2.3372   -1.6000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4758   -2.5398   -0.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8791   -5.0773   -3.1752 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3812   -3.4339   -3.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4644   -5.9848   -5.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1597   -3.1178   -5.9300 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9134   -5.9645   -6.7809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3019   -6.6066   -9.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4557   -5.5751  -11.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2354   -3.8881  -10.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8822   -3.2473   -8.3434 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  2  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  2  0  0  0  0
 15 20  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 17 41  1  0  0  0  0
 18 19  1  0  0  0  0
 18 42  1  0  0  0  0
 19 20  2  0  0  0  0
 19 43  1  0  0  0  0
 20 44  1  0  0  0  0
M  END
$$$$

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2022-10-07, 1437👍, 0💬