Molecule FYI-1002509

A

Molecule Summary:

ID: FYI-1002509
Names:
InChIKey: LWODHEYSDMARCT-UHFFFAOYSA-N
SMILES: CCC(=O)Nc4cc(c2c(c1ccc(F)cc1)nn3CC(C(F)F)Cc23)ccn4

Received at FYIcenter.com on: 2023-04-05

Molecule ID: FYI-1002509 Edit

Molecule Structure InChIKey: LWODHEYSDMARCT-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(=O)Nc4cc(c2c(c1ccc(F)cc1)nn3CC(C(F)F)Cc23)ccn4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002509
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.6916    6.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1242    7.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8590    7.7263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2916    6.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4687    5.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1985    1.5716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8062    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.9833    2.5579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 19 20  1  0  0  0  0
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 12 23  1  0  0  0  0
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 15 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002509-3D
FYIcenter.com

 48 51  0  0  1  0  0  0  0  0999 V2000
    9.0859   -7.8759   -2.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8752   -7.1909   -1.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3490   -6.0904   -2.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7941   -5.8885   -3.4339 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3415   -5.3579   -1.7102 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7840   -4.2563   -2.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3244   -4.3603   -3.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8046   -3.2269   -4.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3017   -3.2941   -5.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4014   -2.3911   -6.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1522   -1.1282   -6.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5522    1.2929   -7.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2235    2.4492   -7.1116 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3938    1.1202   -7.7862 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2520   -4.0329   -7.4167 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326   -5.0118   -8.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9645   -5.8910   -6.9184 C   0  0  3  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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  9 10  1  0  0  0  0
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 28 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-26, 2314👍, 0💬