Molecule FYI-1000284

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A

Molecule Summary:

ID: FYI-1000284
SMILES: NC(CCCCC(=O)c1ccc(Cl)cc1(c2ccccc2)

Received at FYIcenter.com on: 2021-03-04

Molecule ID: FYI-1000284 Edit

Molecule Structure SMILES String: NC(CCCCC(=O)c1ccc(Cl)cc1(c2ccccc2)

Download SDF Download SVG Structure in 2D SDF:

FYI-1000284
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   12.1243    4.9000    0.0000 N   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
    9.6994    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   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
    2.4249    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 Cl  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
    3.6373    2.8000    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
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 15  9  1  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 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000284-3D
FYIcenter.com

 41 42  0  0  0  0  0  0  0  0999 V2000
    1.0854    1.3378    1.0026 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5430    1.2743    0.9706 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0394    0.0874    1.7951 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5649   -0.0080    1.7746 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0500   -1.1862    2.6239 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5773   -1.2606    2.6683 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0733   -2.3258    3.6393 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3378   -2.8607    4.4634 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5312   -2.6657    3.6190 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4203   -1.5707    3.5526 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7949   -1.7558    3.6648 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2944   -3.0358    3.8412 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9877   -3.2682    4.0354 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.4303   -4.1324    3.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0233   -3.9899    3.7662 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1807   -5.2231    3.7989 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5112   -6.3121    4.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7375   -7.4788    4.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5918   -7.5787    3.8928 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2425   -6.5279    3.0524 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0423   -5.3801    2.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7683    2.1658    0.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7707    1.4426    1.9711 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9561    2.2089    1.3652 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8702    1.1765   -0.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6108   -0.8433    1.3997 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6928    0.1880    2.8314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9943    0.9250    2.1603 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9202   -0.1237    0.7423 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6473   -2.1258    2.2275 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6583   -1.0780    3.6423 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9596   -0.2883    2.9937 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9665   -1.4795    1.6668 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0554   -0.5516    3.4591 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4619   -0.8974    3.6361 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8720   -5.1209    3.9857 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3797   -6.2674    5.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0254   -8.3004    5.3225 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9700   -8.4683    3.9436 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3397   -6.5912    2.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7367   -4.5971    2.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  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  1  0  0  0  0
  4 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 15  2  0  0  0  0
 10 11  2  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  2  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END
$$$$

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2021-08-13, 369👍, 0💬