Molecule FYI-1015427

A

Molecule Summary:

ID: FYI-1015427
Names:
InChIKey: IRHPAZSAYURCEQ-SOFGYWHQSA-N
SMILES: Cc2c(C(=O)/C=C/c1ccco1)nnn2c4ccc3c(cnn3C)c4

Received at FYIcenter.com on: 2025-09-02

Molecule ID: FYI-1015427 Edit

Molecule Structure InChIKey: IRHPAZSAYURCEQ-SOFGYWHQSA-N

Molecule Structure SMILES String: Cc2c(C(=O)/C=C/c1ccco1)nnn2c4ccc3c(cnn3C)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1015427
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
    8.6356    4.1865    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3444    2.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.3477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.9477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    2.2477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.8171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.7767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2118    0.8554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5813    0.5643    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2813    1.7767    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.6736    1.9230    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2430    3.2021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   13.4582    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8888    0.9367    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9293    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1417    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8506    2.0693    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7873    3.1098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4965    0.7904    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
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
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 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 15  2  1  0  0  0  0
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 17 16  2  0  0  0  0
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 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
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 23 22  1  0  0  0  0
 23 19  1  0  0  0  0
 24 23  1  0  0  0  0
 25 20  2  0  0  0  0
 25 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015427-3D
FYIcenter.com

 40 43  0  0  0  0  0  0  0  0999 V2000
    0.5181    0.1313   -0.0048 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9702    0.2252    0.2898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9853   -0.7224    0.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8993   -2.1732    0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8615   -2.8109   -0.0247 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2432   -2.8171    0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4704   -4.1291   -0.1305 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8302   -4.5653   -0.1490 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3684   -5.8369   -0.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7828   -5.7277   -0.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0458   -4.3970   -0.0596 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8950   -3.6969    0.0055 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1908   -0.0636    0.3665 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9685    1.2373    0.4189 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6373    1.4287    0.4982 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1017    2.7225    0.6791 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7254    3.8201    0.0725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1266    5.0864    0.1012 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8935    5.2041    0.7635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2974    4.1344    1.4242 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9030    4.6509    1.9515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0801    5.9379    1.6542 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0271    6.2553    0.9514 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1992    7.6131    0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9259    2.8827    1.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6658   -4.8469   -0.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8032   -6.7475   -0.4566 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5169   -6.5151   -0.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9533   -3.8152    0.0492 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6536    3.6938   -0.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5841    5.9282   -0.4089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6622    4.1307    2.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4362    7.5999   -0.5721 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0112    8.0625    1.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4974    2.0740    2.0045 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  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
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 16 25  2  0  0  0  0
 17 18  2  0  0  0  0
 17 34  1  0  0  0  0
 18 19  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  2  0  0  0  0
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 24 37  1  0  0  0  0
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 24 39  1  0  0  0  0
 25 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 224👍, 0💬