Molecule FYI-1013939

A

Molecule Summary:

ID: FYI-1013939
Names:
InChIKey: LIIPTGFVZDNSRK-UHFFFAOYSA-N
SMILES: CC3=CC(=O)c2cc(C(=O)Nc1ccccc1)ccc2C3

Received at FYIcenter.com on: 2025-02-13

Molecule ID: FYI-1013939 Edit

Molecule Structure InChIKey: LIIPTGFVZDNSRK-UHFFFAOYSA-N

Molecule Structure SMILES String: CC3=CC(=O)c2cc(C(=O)Nc1ccccc1)ccc2C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013939
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   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
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    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
    1.2125    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
    1.2125    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
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  8  2  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  6  1  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  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
 21 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013939-3D
FYIcenter.com

 36 38  0  0  0  0  0  0  0  0999 V2000
    0.8772   -0.2046    0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3787   -0.1784    0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1084   -1.3057    0.0176 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5891   -1.2798    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2282   -2.3250    0.0313 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2618    0.0402    0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6694    0.0902    0.0867 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3189    1.3274    0.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8004    1.5185    0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1970    2.6795    0.2783 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6223    0.4066    0.0846 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.0410    0.4472    0.1074 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7709    1.5660    0.5238 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1633    1.5912    0.4322 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8472    0.4867   -0.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1381   -0.6553   -0.4291 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7416   -0.6809   -0.3341 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5420    2.4995    0.0563 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1509    2.4468    0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4944    1.2136    0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9913    1.1935    0.0341 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4806   -1.2248    0.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4926    0.3108   -0.8732 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4858    0.3004    0.9030 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6589   -2.2926    0.0074 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2188   -0.8455    0.1238 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2146   -0.4856   -0.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2847    2.4459    0.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7043    2.4837    0.7371 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9297    0.5175   -0.1563 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6737   -1.5219   -0.8070 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2165   -1.5798   -0.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0238    3.4770    0.0581 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5878    3.3762    0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6380    1.7474   -0.8444 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6454    1.7219    0.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  2  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 20  2  0  0  0  0
  7  8  2  0  0  0  0
  7 26  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 17  2  0  0  0  0
 13 14  2  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 29  1  0  0  0  0
 15 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 20  1  0  0  0  0
 19 34  1  0  0  0  0
 20 21  1  0  0  0  0
 21 35  1  0  0  0  0
 21 36  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1307👍, 0💬