Molecule FYI-1013382

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A

Molecule Summary:

ID: FYI-1013382
Names:
InChIKey: XDGYOZHESDPCJJ-UHFFFAOYSA-N
SMILES: Cc1ccccc1NC(=O)CCc3cc2ccccc2[nH]3

Received at FYIcenter.com on: 2024-12-11

Molecule ID: FYI-1013382 Edit

Molecule Structure InChIKey: XDGYOZHESDPCJJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1ccccc1NC(=O)CCc3cc2ccccc2[nH]3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013382
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    7.9531    4.9959    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9531    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1655    2.8959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    1.4959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8028    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5904    5.6959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3779    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7407    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5281    3.5959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3158    2.8959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0369    3.4653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.2125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1695    1.5036    0.0000 N   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  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
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 21 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013382-3D
FYIcenter.com

 39 41  0     0  0  0  0  0  0999 V2000
    2.1787   -2.6299    0.8747 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3923   -0.9410    1.0388 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3569   -0.9909   -0.5934 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6085   -1.8496    0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9677   -3.1780    0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0980    0.2149    0.7913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7842    0.0282   -0.4106 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4004   -3.1874   -0.6524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4657   -1.2788   -0.8746 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4251   -2.2568   -0.0183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1806    1.3994    1.5320 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5930    1.0734   -0.8992 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1414    0.1435   -0.2771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9892    2.4221    1.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6854    2.2638   -0.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9424    1.3385   -0.9498 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1030    0.0272    0.7145 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7250    2.4460   -0.6229 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9095    1.4767   -2.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8856    1.1346    1.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6966    2.3440    0.3729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6222   -3.9119   -0.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8379   -3.5145    1.0932 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2793   -2.9383   -1.7142 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8152   -4.2023   -0.6206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7996   -1.0917    1.8436 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8256   -1.7489   -1.7800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6382    1.5238    2.4632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1408    0.9634   -1.8308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6676   -0.8575   -1.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0749    3.3553    1.5787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3076    3.0734   -0.5411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3148   -0.8672    1.2801 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5911    3.3960   -1.1334 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0910    1.2957   -1.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9050    2.4839   -2.4522 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1065    0.7776   -2.8402 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6425    1.0569    1.8169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3058    3.2063    0.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2 26  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  8  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  9  1  0  0  0  0
  7 12  2  0  0  0  0
  8 10  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  9 27  1  0  0  0  0
 11 14  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  1  0  0  0  0
 12 29  1  0  0  0  0
 13 16  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 18  2  0  0  0  0
 16 19  1  0  0  0  0
 17 20  1  0  0  0  0
 17 33  1  0  0  0  0
 18 21  1  0  0  0  0
 18 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
 20 38  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
$$$$

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2024-12-18, 901👍, 0💬