Molecule FYI-1005352

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A

Molecule Summary:

ID: FYI-1005352
Names:
InChIKey: ARFDWWNAZVZZBC-UHFFFAOYSA-N
SMILES: O=C(OC(CN1CCCCC1)c2ccccc2)c3ccccc3

Received at FYIcenter.com on: 2023-10-25

Molecule ID: FYI-1005352 Edit

Molecule Structure InChIKey: ARFDWWNAZVZZBC-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(OC(CN1CCCCC1)c2ccccc2)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1005352
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2746    6.9999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.3999    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  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  1  0  0  0  0
 11  6  1  0  0  0  0
 12  4  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
 18  2  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005352-3D
FYIcenter.com

 46 48  0     1  0  0  0  0  0999 V2000
    0.1967   -0.1824    0.0551 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6811    0.4896   -1.5588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6663   -0.3173    0.3682 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0886   -0.3913   -1.0374 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8211   -0.3905    1.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8458   -1.6902   -1.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6023   -1.6891    1.0687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0387   -1.8501   -0.3831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9035    0.9071    0.6096 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6339    0.9371   -0.2500 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.1668    2.1986   -0.0118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0866    3.3166   -0.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1353    2.2082    0.9772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3468   -0.2989   -0.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6513    4.4798   -0.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8731    3.3714    1.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6311    4.5071    0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1104   -1.4811   -0.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4959   -1.4767   -0.3921 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4428   -2.5963    0.2149 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2237   -2.6030   -0.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1707   -3.7226    0.5989 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5611   -3.7259    0.4873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2393   -0.4129   -1.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7146    0.4692   -1.3073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4894    0.4680    1.1258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4793   -0.3609    2.3162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1685   -2.5453   -1.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1896   -1.7017   -2.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4820   -1.6995    1.7222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9777   -2.5434    1.3593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7965   -1.0943   -0.6236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5035   -2.8312   -0.5299 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5154    1.7996    0.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6088    0.9315    1.6674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8664    0.9119   -1.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8491    3.3057   -1.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3265    1.3504    1.6150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4623    5.3645   -1.1693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6315    3.3953    1.9739 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2044    5.4133    0.5961 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0259   -0.6081   -0.7733 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3600   -2.6268    0.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3063   -2.6055   -0.0944 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6549   -4.5983    0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1278   -4.6030    0.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  2 14  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  7  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  8  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12 37  1  0  0  0  0
 13 16  2  0  0  0  0
 13 38  1  0  0  0  0
 14 18  1  0  0  0  0
 15 17  2  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 42  1  0  0  0  0
 20 22  2  0  0  0  0
 20 43  1  0  0  0  0
 21 23  2  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-02, 1961👍, 0💬