Molecule FYI-1007808

A

Molecule Summary:

ID: FYI-1007808
Names:
InChIKey: DFKGQPWIFIEIOR-UHFFFAOYSA-N
SMILES: O=[N+](O)c4cccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2)n3)c4

Received at FYIcenter.com on: 2024-03-17

Molecule ID: FYI-1007808 Edit

Molecule Structure InChIKey: DFKGQPWIFIEIOR-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4cccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007808
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.8498    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6373   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    0.7000    0.0000 C   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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  8  1  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 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  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
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  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
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007808-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
   13.0895   -8.1331   -1.1966 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6768   -7.3913   -1.9562 N   0  3  0  0  0  0  0  0  0  0  0  0
   15.0471   -7.4957   -2.0339 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9585   -6.4239   -2.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6697   -5.5745   -3.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9771   -4.6515   -4.3692 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5844   -4.5716   -4.2791 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8490   -5.3863   -3.4056 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4506   -5.3168   -3.2712 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5629   -4.2947   -3.6187 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4041   -4.2577   -2.9478 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5998   -3.2055   -3.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9052   -2.1962   -4.0728 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0844   -2.3405   -4.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4514   -1.3718   -5.7274 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3984   -1.5869   -6.7553 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4210   -2.7836   -7.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3408   -2.9950   -8.5155 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2806   -2.0232   -8.8654 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1913   -2.1969   -9.8901 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9313   -3.0648  -11.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8464   -4.2973  -11.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2304   -3.9258  -10.9265 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4444   -3.2007   -9.7045 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6161   -1.9046   -9.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2418   -0.8206   -8.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3105   -0.5950   -7.1135 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8960   -3.3816   -4.5347 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5582   -6.3377   -2.6589 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1563   -8.2133   -1.3895 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7530   -5.6259   -3.6728 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5079   -3.9848   -5.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0946   -3.8419   -4.9165 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0461   -5.8442   -2.5106 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6691   -3.1966   -2.6311 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2356   -1.3649   -4.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5459   -0.4636   -5.2878 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7157   -3.5760   -7.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3164   -3.9554   -9.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1515   -2.4749  -11.9485 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8816   -3.3673  -11.1299 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7317   -4.8489  -11.9789 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5922   -4.9784  -10.2198 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5107   -2.9596   -9.6471 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2049   -3.8555   -8.8581 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9545   -1.2287  -10.4500 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7978   -1.4077   -8.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9251   -0.0154   -8.4009 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3241    0.3614   -6.5993 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0257   -7.0075   -1.9865 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  2  0  0  0  0
  5  6  2  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
  7  8  2  0  0  0  0
  7 33  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  2  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 27  2  0  0  0  0
 17 18  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  2  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 46  1  0  0  0  0
 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
 26 48  1  0  0  0  0
 27 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END
$$$$

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