Molecule FYI-1013230

A

Molecule Summary:

ID: FYI-1013230
Names:
InChIKey: QRIVRMXNAMQQRU-CIAFOILYSA-N
SMILES: CCOc4cc(/C=N/NC(=O)C23CC1CC(CC(C1)C2)C3)ccc4O

Received at FYIcenter.com on: 2024-11-26

Molecule ID: FYI-1013230 Edit

Molecule Structure InChIKey: QRIVRMXNAMQQRU-CIAFOILYSA-N

Molecule Structure SMILES String: CCOc4cc(/C=N/NC(=O)C23CC1CC(CC(C1)C2)C3)ccc4O

Download SDF Download SVG Structure in 2D SDF:

FYI-1013230
FYIcenter.com

 25 28  0  0  0  0  0  0  0  0999 V2000
   10.3708    7.8558    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2295    4.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2295    2.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1590    2.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.4947    1.2223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.3002    2.2928    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3708    2.9109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3708    4.1472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4414    4.7653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 22  6  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 24  4  1  0  0  0  0
 25 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013230-3D
FYIcenter.com

 51 54  0  0  1  0  0  0  0  0999 V2000
    5.7901   -4.5748   -6.0051 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4772   -3.0877   -5.8969 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4429   -2.9391   -4.9298 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3802   -1.7853   -4.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8226   -0.5267   -4.6228 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6689    0.5882   -3.7801 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1413    1.9335   -4.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0102    2.9640   -3.4356 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4541    4.1766   -3.8875 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2960    5.2990   -3.0690 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.9624    9.1600   -3.3318 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.4375    9.0851   -3.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6353    7.9402   -4.7634 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7549    8.1960   -5.9988 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2212    6.6080   -4.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.0626    0.4476   -2.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6029   -0.8015   -2.1037 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3124   -3.1333   -2.5357 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8867   -3.0477   -1.6685 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 27  1  0  0  0  0
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  3  4  1  0  0  0  0
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  4 24  2  0  0  0  0
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  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  2  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
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 14 19  1  0  0  0  0
 14 36  1  0  0  0  0
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 15 38  1  0  0  0  0
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 16 21  1  0  0  0  0
 16 39  1  0  0  0  0
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 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
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 23 50  1  0  0  0  0
 24 25  1  0  0  0  0
 25 51  1  0  0  0  0
M  END
$$$$

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2024-12-18, 700👍, 0💬