Molecule FYI-1006127

A

Molecule Summary:

ID: FYI-1006127
Names:
InChIKey: JMFDBNTUXHOTHS-UHFFFAOYSA-N
SMILES: O=C(Nc3ccc(OCc2ccc(OCC1CCCCC1)cc2)cc3)Nc4ccnc(Cl)c4

Received at FYIcenter.com on: 2023-11-27

Molecule ID: FYI-1006127 Edit

Molecule Structure InChIKey: JMFDBNTUXHOTHS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc3ccc(OCc2ccc(OCC1CCCCC1)cc2)cc3)Nc4ccnc(Cl)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006127
FYIcenter.com

 33 36  0  0  0  0  0  0  0  0999 V2000
    2.4249   15.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   16.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   17.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   16.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   15.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   14.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.4622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.7368    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4368    2.4249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4368    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006127-3D
FYIcenter.com

 61 64  0  0  0  0  0  0  0  0999 V2000
   -2.5262   -2.6819    4.4375 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3498   -2.7609    4.1151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5056   -1.6704    4.0224 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8655   -0.3243    4.2552 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

✍: FYIcenter.com

2023-12-29, 370👍, 0💬