Molecule FYI-1013393

A

Molecule Summary:

ID: FYI-1013393
Names:
InChIKey: CCQKTQIFAFEGLS-UHFFFAOYSA-N
SMILES: Cc3cc(NC(=O)CCc2cc1ccccc1[nH]2)ccc3N(C)C

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

Molecule ID: FYI-1013393 Edit

Molecule Structure InChIKey: CCQKTQIFAFEGLS-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(NC(=O)CCc2cc1ccccc1[nH]2)ccc3N(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1013393
FYIcenter.com

 24 26  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
   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
   14.0152    5.6959    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.2276    4.9959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0152    7.0959    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
   11.5904    7.0959    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
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    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
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 10  8  1  0  0  0  0
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 23 18  1  0  0  0  0
 24 23  1  0  0  0  0
 24 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013393-3D
FYIcenter.com

 47 49  0  0  0  0  0  0  0  0999 V2000
    2.6339    0.0686    0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1316   -0.0446    0.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4556    1.2008    0.0578 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9315    1.3046    0.0171 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6144    2.5407   -0.0074 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0430    3.8057    0.0128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1546    4.0758   -0.0209 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0532    4.9317    0.0998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8147    4.8658    1.4159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7896    5.9825    1.5647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0906    6.0986    1.1201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6232    7.3111    1.6338 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8867    7.9278    1.5684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0914    9.1404    2.2357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0566    9.7418    2.9494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7900    9.1526    3.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.4031   -1.2564    0.0144 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9739   -2.5216   -0.0313 N   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
  2 21  2  0  0  0  0
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  3 28  1  0  0  0  0
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  5  6  1  0  0  0  0
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 15 16  2  0  0  0  0
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 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
M  END
$$$$

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2024-12-18, 1432👍, 0💬