Molecule FYI-1013242

A

Molecule Summary:

ID: FYI-1013242
Names:
InChIKey: LDXDVDAUAIFYPU-UHFFFAOYSA-N
SMILES: CCOc3ccc2N=C(C(=O)NCCN(CC)CC)C(Cc1ccc(Cl)cc1)c2c3

Received at FYIcenter.com on: 2024-11-27

Molecule ID: FYI-1013242 Edit

Molecule Structure InChIKey: LDXDVDAUAIFYPU-UHFFFAOYSA-N

Molecule Structure SMILES String: CCOc3ccc2N=C(C(=O)NCCN(CC)CC)C(Cc1ccc(Cl)cc1)c2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013242
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
    2.8000    3.2710    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8000    5.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2003    5.6960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9001    4.4835    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3099    5.1292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  8 18  1  0  0  0  0
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  3 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013242-3D
FYIcenter.com

 60 62  0  0  1  0  0  0  0  0999 V2000
    0.9643   -0.8008   -0.1965 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4711   -0.9452   -0.2361 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9837   -0.1577   -1.3095 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3395   -0.2152   -1.4956 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0658   -0.2221   -2.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4077   -0.0593   -2.4144 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3726    0.7558   -3.4371 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6168    1.3666   -4.0242 C   0  0  0  0  0  0  0  0  0  0  0  0
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 30 60  1  0  0  0  0
M  END
$$$$

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2024-12-18, 737👍, 0💬