Molecule FYI-1005697

A

Molecule Summary:

ID: FYI-1005697
Names:
InChIKey: NFXCRDCUVXYXMV-WZONZLPQSA-N
SMILES: CCN(CC)C(=O)[C@@H]3C=C1c4cccc5[nH]cc(C[C@H]1N(c2ccccc2)C3)c45

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

Molecule ID: FYI-1005697 Edit

Molecule Structure InChIKey: NFXCRDCUVXYXMV-WZONZLPQSA-N

Molecule Structure SMILES String: CCN(CC)C(=O)[C@@H]3C=C1c4cccc5[nH]cc(C[C@H]1N(c2ccccc2)C3)c45

Download SDF Download SVG Structure in 2D SDF:

FYI-1005697
FYIcenter.com

 29 33  0  0  1  0  0  0  0  0999 V2000
    3.6303    9.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    8.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4202    8.3837    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4202    6.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    6.2878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303    6.2878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8403    4.1918    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0504    4.8905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2605    4.1918    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8403    6.9864    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8403    2.7946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6303    2.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8403    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0504    0.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0504    2.0959    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100    9.0823    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
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 19 18  1  0  0  0  0
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 20  6  1  0  0  0  0
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 21 11  1  0  0  0  0
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 22  8  1  0  0  0  0
 23 22  2  0  0  0  0
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 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 22  1  0  0  0  0
 28  3  1  0  0  0  0
 29 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005697-3D
FYIcenter.com

 56 60  0  0  1  0  0  0  0  0999 V2000
   10.1486    3.5654   -1.6208 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6266    2.8891   -0.3747 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7911    3.6422    0.5668 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1123    4.9820    1.0621 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5156    6.0511    0.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2619    2.7930    1.5573 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6716    1.6359    1.7116 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0554    3.2742    2.3326 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0934    4.2038    1.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8048    4.1205    2.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9574    3.9653    0.8725 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9882    4.9741   -0.1108 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5843    4.6786   -1.3413 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0155    3.3722   -1.6514 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7441    2.3451   -0.7356 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1929    1.0365   -0.6457 N   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3203    1.7218    2.9280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5559    3.2486    3.3770 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7446    3.5175    4.3297 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8535    3.2612    5.6902 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1242    3.7116    7.7566 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0944    3.7995    3.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1283    2.6069    0.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5770    2.8083   -2.2878 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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  2  3  1  0  0  0  0
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 26 53  1  0  0  0  0
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 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
M  END
$$$$

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2023-11-18, 414👍, 0💬