Molecule FYI-1017642

A

Molecule Summary:

ID: FYI-1017642
Names:
InChIKey: KCHASLJYSJELMJ-QURGRASLSA-N
SMILES: CC(=O)C(/N=N/c1ccccc1N)C(=O)Nc2ccc(N)c(N)c2

Received at FYIcenter.com on: 2026-09-24

Molecule ID: FYI-1017642 Edit

Molecule Structure InChIKey: KCHASLJYSJELMJ-QURGRASLSA-N

Molecule Structure SMILES String: CC(=O)C(/N=N/c1ccccc1N)C(=O)Nc2ccc(N)c(N)c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1017642
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
    8.6061    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3936   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3936    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3936    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1812    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3936    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6061    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3936    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9688    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5438    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3314    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5438    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7563    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.2674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.5326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8186    8.4001    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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13  9  1  0  0  0  0
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 16 15  1  0  0  0  0
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 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 19  1  0  0  0  0
 23 18  1  0  0  0  0
  1 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1017642-3D
FYIcenter.com

 42 43  0  0  1  0  0  0  0  0999 V2000
    0.7838   -0.0733   -0.5570 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2546   -0.1058   -0.2233 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7493   -1.1302    0.2575 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0833    1.1135   -0.5930 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.3928    2.2947   -0.0337 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8385    2.9885   -0.9161 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2878    4.1617   -0.3537 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1234    5.1398    0.2098 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5919    6.3254    0.7189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2210    6.5555    0.6461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6195    5.5986    0.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1078    4.3795   -0.3914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9674    3.4997   -1.0837 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5371    1.1656   -0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1488    2.2364   -0.0910 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0982   -0.0544    0.2438 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4398   -0.3428    0.5701 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4747    0.5899    0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7922    0.2036    0.7838 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0958   -1.1257    1.0775 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4264   -1.5040    1.3676 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0426   -2.0373    1.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3292   -3.3854    1.6056 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7368   -1.6600    0.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2638    0.6253    0.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1319    1.1468   -1.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1984    4.9746    0.2381 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2508    7.0745    1.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6809    5.8155   -0.0153 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9238    3.5142   -0.7434 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5806    2.5638   -1.1472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4525   -0.8438    0.3173 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2992    1.6255    0.2416 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5804    0.9486    0.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1011   -0.9107    0.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5636   -2.4809    1.1135 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1377   -3.4219    2.2246 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5329   -3.8567    2.0232 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9438   -2.4015    1.0036 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  2  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 21 38  1  0  0  0  0
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 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-10-17, 201👍, 0💬