Molecule FYI-1005700

A

Molecule Summary:

ID: FYI-1005700
Names:
InChIKey: NKLGXDCULZFNBJ-UHFFFAOYSA-N
SMILES: CCCNC(=O)C2C=C1c4cccc3NCC(CC1N(C)C2)c34

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

Molecule ID: FYI-1005700 Edit

Molecule Structure InChIKey: NKLGXDCULZFNBJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCNC(=O)C2C=C1c4cccc3NCC(CC1N(C)C2)c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005700
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
   10.6151    4.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8245    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.1962    4.1896    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1962    5.5862    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9868    3.4914    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9868    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7774    1.3965    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3584    1.3965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1490    2.0948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 12  1  0  0  0  0
 23  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005700-3D
FYIcenter.com

 48 51  0  0  1  0  0  0  0  0999 V2000
    0.9581   -4.8939    2.0503 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4672   -4.7356    2.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9494   -3.8113    1.0042 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3879   -3.6831    1.0060 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0085   -2.8044    0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4074   -2.1402   -0.6926 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5181   -2.6898    0.3326 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.7976   -2.2394    1.7321 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8080   -2.7435    2.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1915   -2.1486    3.7621 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6556   -1.0121    4.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3727   -0.3374    5.3918 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6808   -0.7159    5.7142 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1805   -1.8323    5.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5298   -2.3084    5.0688 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.4498   -3.3154    3.9556 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.1419   -5.3943    0.0259 C   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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  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  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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  7 22  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  2  0  0  0  0
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 15 37  1  0  0  0  0
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 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  1  0  0  0  0
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 21 46  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-18, 1929👍, 0💬