Molecule Editor

Molecule ID: FYI-1005057 Edit

Molecule Structure InChIKey: WWOCUKUEGRWXGZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(O)C3CNCCN(CCN2CCN(c1ccccc1)CC2)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005057
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
   12.7336    2.1599    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.1463    3.4978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5112    3.8093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1940    4.5240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7054    5.8273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0054    7.0397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6211    7.2483    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5948    6.2961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.9000    0.0000 C   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
    3.6373    2.8000    0.0000 N   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
    6.0622    2.8000    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
    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
   10.8562    4.1113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  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  1  0  0  0  0
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 17 16  1  0  0  0  0
 17 12  1  0  0  0  0
 18 15  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
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24  9  1  0  0  0  0
 24  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005057-3D
FYIcenter.com

 52 54  0     1  0  0  0  0  0999 V2000
    6.9157   -1.9322   -0.6403 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   -2.0850    1.4362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8140   -0.2958   -0.4218 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8695    0.3156   -0.2015 N   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6513   -0.0814   -0.1707 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4017    2.1935    0.2467 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5196    0.0980   -0.8748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5288   -0.0625    0.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8886   -0.4046    0.5787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6851   -0.5781   -1.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2700   -0.3455   -0.0862 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.0123    1.7758   -0.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0679   -1.0458   -1.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7807    0.3351    0.9360 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$