Molecule FYI-1015278

A

Molecule Summary:

ID: FYI-1015278
Names:
InChIKey: HFJRFOXCHQPJEH-UHFFFAOYSA-N
SMILES: O=C(NCc1ccccc1Cl)c4cc(c2ccc(Cl)cc2)nc5[nH]nc(c3ccccc3)c45

Received at FYIcenter.com on: 2025-07-25

Molecule ID: FYI-1015278 Edit

Molecule Structure InChIKey: HFJRFOXCHQPJEH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NCc1ccccc1Cl)c4cc(c2ccc(Cl)cc2)nc5[nH]nc(c3ccccc3)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1015278
FYIcenter.com

 33 37  0  0  0  0  0  0  0  0999 V2000
    3.5662    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7786    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2034    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4159    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8407    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8407    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4159    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2034    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7786    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9910    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2034    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4159    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6283    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8407    9.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.4159    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2034    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7786    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5662    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    6.7326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4118    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347    4.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8021    3.1359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4326    2.8448    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.5134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    0.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3062    0.7640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7388    2.0955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5662    4.9000    0.0000 C   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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
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  9  8  1  0  0  0  0
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 11 10  1  0  0  0  0
 12  2  1  0  0  0  0
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 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
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 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 27  1  0  0  0  0
 33 26  1  0  0  0  0
 33 12  1  0  0  0  0
 33 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015278-3D
FYIcenter.com

 51 55  0     0  0  0  0  0  0999 V2000
   -1.4612    4.1547    0.7210 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.0422    2.4092    0.2037 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8785   -0.5231    2.4580 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0524   -3.4919   -1.4210 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8768   -1.5636   -0.9622 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3541   -3.2937   -1.7177 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5045    0.7880    0.6506 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5474   -1.7155   -0.2824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4851   -0.6099    0.5524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4823   -2.5710   -0.5618 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6717   -2.1977   -1.0193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7304    0.0259    0.5972 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8344   -0.4665   -0.1403 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8621   -2.6424   -0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6640   -0.1358    1.2911 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0998    0.2322   -0.0554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6764    1.3706    1.2638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8479   -1.9866   -0.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2101   -3.3673    0.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4055    2.2868    0.3242 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1864    1.5678   -0.4484 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2324   -0.4302    0.4182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1818   -2.0555   -0.4805 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3660    4.5732   -2.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  1  0  0  0  0
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  5 13  2  0  0  0  0
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  7 15  1  0  0  0  0
  7 17  1  0  0  0  0
  7 38  1  0  0  0  0
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 22 29  2  0  0  0  0
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 23 25  2  0  0  0  0
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 29 48  1  0  0  0  0
 31 33  1  0  0  0  0
 31 49  1  0  0  0  0
 32 33  2  0  0  0  0
 32 50  1  0  0  0  0
 33 51  1  0  0  0  0
M  END
$$$$

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2025-08-18, 989👍, 0💬