Molecule Editor

Molecule ID: FYI-1017553 Edit

Molecule Structure InChIKey: FSVSACOGQQIXAF-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(c3cc(Cc1n[nH]c(=O)c2ccccc12)ccc3F)N5CC(CNC4CC4)C5.Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1017553
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    5.1192   15.6162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0467   14.7162    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7313   15.1950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6587   14.2953    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9019   12.9164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8294   12.0166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0725   10.6379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.7380    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2432    8.3593    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5588    7.8803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8018    6.5016    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6312    8.7802    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9467    8.3014    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3869    5.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8474    0.2430    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3367    6.1197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0191    9.2014    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3881   10.1590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2175   12.4376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2899   13.3375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6055   12.8587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8485   11.4800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7761   10.5801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4605   11.0589    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3685    8.9235    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 19  1  0  0  0  0
 22 16  1  0  0  0  0
 22 14  1  0  0  0  0
 23 13  2  0  0  0  0
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 24  7  1  0  0  0  0
 25  5  1  0  0  0  0
 26 25  2  0  0  0  0
 26  2  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 30 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017553-3D
FYIcenter.com

 55 58  0  0  0  0  0  0  0  0999 V2000
    1.9252   -0.6583   -0.3321 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3517    0.4771   -0.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0043    1.1264    0.7132 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0487    2.0123    0.4610 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7349    2.6440    1.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8682    3.5649    1.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2045    3.2253    1.7570 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7821    4.2061    2.4961 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9854    4.0782    3.0512 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7151    2.9316    2.9097 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8168    2.8528    3.4263 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1882    1.8617    2.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9141    0.6664    2.0021 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3802   -0.3888    1.2644 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1245   -0.2635    0.6761 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3927    0.9197    0.8195 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9054    2.0003    1.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3311    2.4198    2.8282 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2775    1.5337    3.0961 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6233    0.8753    2.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5973    0.0329    2.3301 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.2070    1.1259   -1.6323 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8006    2.2038   -2.7507 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$