Molecule FYI-1015627

A

Molecule Summary:

ID: FYI-1015627
Names:
InChIKey: XWXXNBTZOVGMLD-UHFFFAOYSA-N
SMILES: COC(=O)c1ccccc1NC(=O)Cn2cc(C(C)(C)O)nn2

Received at FYIcenter.com on: 2025-09-20

Molecule ID: FYI-1015627 Edit

Molecule Structure InChIKey: XWXXNBTZOVGMLD-UHFFFAOYSA-N

Molecule Structure SMILES String: COC(=O)c1ccccc1NC(=O)Cn2cc(C(C)(C)O)nn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015627
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    4.8499    2.8413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4209    2.8490    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    2.5579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3598    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6388    1.8484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9293    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.0809    0.7095    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    3.7703    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5535    4.8107    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    4.2413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    7.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0413    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22 21  1  0  0  0  0
 23 20  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015627-3D
FYIcenter.com

 41 42  0  0  0  0  0  0  0  0999 V2000
    9.3814   -4.8411   -1.0272 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6149   -3.7322   -0.5551 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3105   -3.7082   -0.9329 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7375   -4.5605   -1.5914 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6564   -2.4510   -0.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3707   -1.5943    0.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8253   -0.3857    0.8353 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5551   -0.0251    0.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8267   -0.8739   -0.4217 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3563   -2.0896   -0.8834 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5953   -2.9434   -1.7347 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4317   -2.6038   -2.4135 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9442   -1.4755   -2.4831 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7452   -3.7456   -3.1193 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2154   -3.8549   -4.4764 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8265   -3.1450   -5.5732 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5958   -3.6673   -6.5967 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6476   -3.2994   -8.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0545   -3.4934   -8.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
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  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  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  1  0  0  0  0
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 11 31  1  0  0  0  0
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 15 23  1  0  0  0  0
 16 17  2  0  0  0  0
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 21 41  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 298👍, 0💬