Molecule FYI-1006932

A

Molecule Summary:

ID: FYI-1006932
Names:
InChIKey: DSZPXVRDXKHNGB-UHFFFAOYSA-N
SMILES: CC(C)(C)c3cc(C(=O)N2CCN(c1ccccn1)CC2)cc(C(C)(C)C)c3O

Received at FYIcenter.com on: 2024-01-23

Molecule ID: FYI-1006932 Edit

Molecule Structure InChIKey: DSZPXVRDXKHNGB-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)(C)c3cc(C(=O)N2CCN(c1ccccn1)CC2)cc(C(C)(C)C)c3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1006932
FYIcenter.com

 29 31  0  0  0  0  0  0  0  0999 V2000
   11.4243    6.8124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8243    4.3876    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2124    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    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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 12  9  1  0  0  0  0
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 15 12  1  0  0  0  0
 16  7  1  0  0  0  0
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 19 18  1  0  0  0  0
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 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  2  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006932-3D
FYIcenter.com

 62 64  0     0  0  0  0  0  0999 V2000
    4.6301    0.9852   -1.0508 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3462   -1.2942    2.9106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0051   -1.2427    1.0055 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5544   -0.4901    0.0689 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5812    0.6397    0.5395 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2885   -1.8360   -0.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8631    2.8377    0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3418   -0.8883   -0.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6560    1.3599    0.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5507    0.4893   -0.3802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1899   -1.7581    1.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4409   -1.6614   -2.5234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8432   -3.3156   -0.7660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8592    3.3525   -1.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 62  1  0  0  0  0
M  END
$$$$

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2024-01-31, 275👍, 0💬