Molecule FYI-1002551

A

Molecule Summary:

ID: FYI-1002551
Names:
InChIKey: LCWBBVMAGCKOIZ-UHFFFAOYSA-N
SMILES: O=C(Nc1ccccc1C(=O)Nc3ccc2OCOc2c3)c4ccc(Cl)cc4

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002551 Edit

Molecule Structure InChIKey: LCWBBVMAGCKOIZ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc1ccccc1C(=O)Nc3ccc2OCOc2c3)c4ccc(Cl)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002551
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    9.6995    9.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.8157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.7157    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.7157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.6157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.2157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    1.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0218    1.2789    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5912    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    7.8157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.5157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.7157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7157    0.0000 Cl  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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  1  1  0  0  0  0
  7  5  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
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 19  4  1  0  0  0  0
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 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002551-3D
FYIcenter.com

 43 46  0     0  0  0  0  0  0999 V2000
   -2.8226    5.8521    0.1144 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7964    1.1379    1.6246 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8340    1.6648   -0.4858 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7962   -1.5981    1.7664 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3433   -0.5751   -0.4092 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3025   -1.4519   -0.5249 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0535   -0.7868    0.0777 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4536   -0.6631   -0.5503 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1332    0.5882    0.5709 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7256    0.8893   -0.6341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6086   -2.7282    0.2967 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9943   -0.1871    0.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8470   -2.1692    0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0589   -0.3556   -1.7816 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2119    0.4316   -1.8301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5628   -1.8620    0.5918 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8732    1.8179    0.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4036   -4.0941    0.2743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9257   -3.0095   -0.2205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4823   -4.9344   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7434   -4.3922   -0.2484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2471   -0.0918   -0.1474 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5922   -0.3763    1.6298 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6351   -0.7278   -2.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9684   -1.7657   -1.4338 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6816    0.6713   -2.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8197    2.8860    1.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.5757   -4.5234    0.4657 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.2053    1.6493    0.5061 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8849    3.8491   -0.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2  9  1  0  0  0  0
  2 17  1  0  0  0  0
  3 10  1  0  0  0  0
  3 17  1  0  0  0  0
  4 16  2  0  0  0  0
  5 22  2  0  0  0  0
  6  8  1  0  0  0  0
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  6 31  1  0  0  0  0
  7 13  1  0  0  0  0
  7 22  1  0  0  0  0
  7 36  1  0  0  0  0
  8 12  2  0  0  0  0
  8 14  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 15  1  0  0  0  0
 11 13  1  0  0  0  0
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 11 18  2  0  0  0  0
 12 29  1  0  0  0  0
 13 19  2  0  0  0  0
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 14 30  1  0  0  0  0
 15 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 21  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  2  0  0  0  0
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 21 39  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 23 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 40  1  0  0  0  0
 25 27  2  0  0  0  0
 25 41  1  0  0  0  0
 26 28  2  0  0  0  0
 26 42  1  0  0  0  0
 27 28  1  0  0  0  0
 27 43  1  0  0  0  0
M  END
$$$$

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2023-04-13, 2122👍, 0💬