Molecule Editor

Molecule ID: FYI-1002076 Edit

Molecule Structure InChIKey: CTBRLZHCTSRPOR-ZTDHTWSHSA-N

Molecule Structure SMILES String: CC3N(CCCCCCC(=O)Nc1ccccc1)c2ccccc2[C@@]34CCN(C)C4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002076
FYIcenter.com

 30 33  0  0  1  0  0  0  0  0999 V2000
   12.4426    5.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4831    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    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
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   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
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   14.6157    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0483    0.8991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4176    0.6080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3545    1.6483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9219    2.9799    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5524    3.2709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8524    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2219    4.7744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3682    6.1668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0892    6.7362    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7981    8.1056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1525    5.6958    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  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  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
 18 13  1  0  0  0  0
 19  3  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24 19  1  0  0  0  0
 25 24  1  0  0  0  0
 25  2  1  6  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 30 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002076-3D
FYIcenter.com

 65 68  0  0  1  0  0  0  0  0999 V2000
    2.0465   -0.9084   -3.2553 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8006   -0.4211   -1.8218 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7325   -1.0766   -0.8645 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6670   -2.4726   -0.4309 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.6988   -4.0566    1.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7937   -4.0167    2.6169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5818   -3.4916    2.2332 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3120   -0.0832   -0.0870 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1981   -0.2347    0.9707 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5200    2.3362    0.0840 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$