Molecule FYI-1006253

A

Molecule Summary:

ID: FYI-1006253
Names:
InChIKey: VTBJSBOBBOHIEK-UHFFFAOYSA-N
SMILES: Cn3ncc(c2ccc1c(=O)[nH]nc(CC=O)c1c2)c3c5c(F)c(Cl)cc(OC4CC4)c5C#N

Received at FYIcenter.com on: 2023-12-06

Molecule ID: FYI-1006253 Edit

Molecule Structure InChIKey: VTBJSBOBBOHIEK-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn3ncc(c2ccc1c(=O)[nH]nc(CC=O)c1c2)c3c5c(F)c(Cl)cc(OC4CC4)c5C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1006253
FYIcenter.com

 34 38  0  0  0  0  0  0  0  0999 V2000
    7.0697    0.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.2975    1.9157    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7311    3.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5960    4.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5960    5.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4197    6.1935    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 19  6  1  0  0  0  0
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 32 21  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006253-3D
FYIcenter.com

 51 55  0  0  0  0  0  0  0  0999 V2000
   -2.0841    0.0735    0.0726 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6453   -0.0789    0.0673 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0485    1.0750    0.0668 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3090    0.6985   -0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4507   -0.7036   -0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7052   -1.4241   -0.3186 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8737   -0.9609    0.3111 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0719   -1.6689    0.1971 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4010   -3.2333   -0.1697 O   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1267   -5.3640   -1.8609 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.7661   -2.5931   -1.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1547   -1.2276    0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
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 29 47  1  0  0  0  0
 30 31  1  0  0  0  0
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 30 49  1  0  0  0  0
 31 50  1  0  0  0  0
 31 51  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  3  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-14, 650👍, 0💬