Molecule Editor

Molecule ID: FYI-1003189 Edit

Molecule Structure InChIKey: RGMKNJVLJCHQIC-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn3cc(N)c(c1cc(C(F)(F)F)cnc1NC2CCN(C(=O)OC(C)(C)C)CC2)n3

Download SDF Download SVG Structure in 2D SDF:

FYI-1003189
FYIcenter.com

 31 33  0  0  0  0  0  0  0  0999 V2000
    0.5272    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0968    1.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3968    2.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3335    3.5318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0424    4.9013    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6125    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8249    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    3.6624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   13.4624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4623    2.9624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1623    4.1748    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.6747    2.2624    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.7623    1.7500    0.0000 F   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  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
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 24  1  0  0  0  0
 27 24  1  0  0  0  0
 28 10  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 31 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003189-3D
FYIcenter.com

 58 60  0  0  0  0  0  0  0  0999 V2000
    8.5555   -6.2172   -0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0757   -5.0310    0.6400 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5370   -4.4772    1.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1855   -3.1503    1.7243 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5741   -2.1963    2.5923 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4647   -3.0042    0.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0702   -1.8322   -0.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3350   -1.9832   -1.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9510   -1.0287   -2.5714 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1359   -1.2753   -4.0326 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6611   -2.5063   -4.3116 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.9652   -1.2191   -4.7216 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.9729   -0.3839   -4.6257 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.3633    0.1004   -2.0361 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1110    0.3032   -0.7009 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4450   -0.6618    0.1874 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2955   -0.4395    1.5476 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3233    0.4163    2.2513 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0630   -0.3515    2.6304 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9719   -0.2348    1.5890 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$