Molecule FYI-1016233

A

Molecule Summary:

ID: FYI-1016233
Names:
InChIKey: KHLNXOSMRTVVRE-KZUJFRSNSA-N
SMILES: C#CCn4c(=O)c(=c2[nH]c1ccccc1c2=NOCCCC(=O)NO)c3ccccc34

Received at FYIcenter.com on: 2025-11-30

Molecule ID: FYI-1016233 Edit

Molecule Structure InChIKey: KHLNXOSMRTVVRE-KZUJFRSNSA-N

Molecule Structure SMILES String: C#CCn4c(=O)c(=c2[nH]c1ccccc1c2=NOCCCC(=O)NO)c3ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1016233
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
   13.7608    4.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5484    4.7552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3360    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3360    2.6552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.1235    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9111    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6987    4.7552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4863    4.0552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2738    4.7552    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0614    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7825    4.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8456    3.5843    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5456    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1130    1.0403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4192    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8518    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3587    7.9558    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3184    8.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9005   11.6314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    8.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8282    9.4594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5282    8.2470    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8282    7.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    7.0344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
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  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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 17 16  1  0  0  0  0
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 19 11  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  3  0  0  0  0
 26 22  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 31 19  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016233-3D
FYIcenter.com

 51 54  0  0  0  0  0  0  0  0999 V2000
    1.0916    0.4217    0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3569    0.1854    0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8320   -0.0900   -0.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3300   -1.1005    1.0102 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8922   -0.9604    2.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2570    0.0789    2.8879 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9884   -2.4293    2.9543 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4946   -2.8115    4.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0429   -2.1367    5.3165 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2918   -3.0086    6.4088 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8244   -2.8001    7.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0130   -3.9007    8.5795 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6779   -5.1969    8.2103 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1579   -5.4051    6.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9825   -4.3133    6.0688 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5425   -4.2822    4.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3778   -5.3446    3.9379 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3530   -6.5077    4.6736 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7562   -7.5986    3.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0852   -8.8261    4.4514 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5591   -8.6850    4.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8663   -9.8927    5.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4561  -10.8769    5.4522 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4990   -9.8147    4.9861 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7944  -10.9176    5.5166 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9903   -4.6046    1.6870 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2136   -2.2749   -1.2527 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
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  3  4  1  0  0  0  0
  3 33  1  0  0  0  0
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  4 31  1  0  0  0  0
  5  6  2  0  0  0  0
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 22 23  2  0  0  0  0
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 29 30  2  0  0  0  0
 29 50  1  0  0  0  0
 30 31  1  0  0  0  0
 30 51  1  0  0  0  0
M  END
$$$$

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2025-12-09, 1186👍, 0💬