Molecule FYI-1005585

A

Molecule Summary:

ID: FYI-1005585
Names:
InChIKey: SZHXKKNKDORIJS-UHFFFAOYSA-N
SMILES: Cc3cc(=O)oc4cc(Nc1ccccc1C(=O)c2ccccc2)c(Cl)cc34

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005585 Edit

Molecule Structure InChIKey: SZHXKKNKDORIJS-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(=O)oc4cc(Nc1ccccc1C(=O)c2ccccc2)c(Cl)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005585
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.8498    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
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 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
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 14  9  1  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 16  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005585-3D
FYIcenter.com

 44 47  0  0  0  0  0  0  0  0999 V2000
    1.5476    0.0792    3.3296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8632    0.0792    2.6110 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5779    1.2086    2.4716 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8540    1.2758    1.7424 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5041    2.3137    1.7062 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2524    0.1265    1.0871 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5650   -1.0867    1.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1547   -2.2113    0.7091 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6331   -3.4923    0.9284 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3486   -4.6233    0.4851 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7532   -4.8026    0.4227 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5860   -4.0593    1.2838 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9741   -4.0692    1.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5723   -4.8638    0.1951 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7810   -5.6566   -0.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3752   -5.6104   -0.5539 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5647   -6.4328   -1.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5086   -6.9292   -1.1110 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0134   -6.6762   -2.9028 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7210   -5.7079   -3.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1082   -5.9593   -4.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7767   -7.1695   -5.5550 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0643   -8.1342   -4.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.7399   -0.2053    2.6465 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2490    2.1538    2.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0509   -2.0823    0.1077 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  2  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 32  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
  7  8  1  0  0  0  0
  7 28  2  0  0  0  0
  8  9  2  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 34  1  0  0  0  0
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 22 23  2  0  0  0  0
 22 41  1  0  0  0  0
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 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 44  1  0  0  0  0
M  END
$$$$

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2023-11-13, 1166👍, 0💬