Molecule FYI-1004227

A

Molecule Summary:

ID: FYI-1004227
Names:
InChIKey: SJRLRWIFRZUSHX-UHFFFAOYSA-N
SMILES: O=C(CC(F)(F)F)Nc3cccc(NC(=O)c1cccc2cc(OC(=O)CC(F)(F)F)ccc12)c3

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004227 Edit

Molecule Structure InChIKey: SJRLRWIFRZUSHX-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CC(F)(F)F)Nc3cccc(NC(=O)c1cccc2cc(OC(=O)CC(F)(F)F)ccc12)c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1004227
FYIcenter.com

 35 37  0  0  0  0  0  0  0  0999 V2000
    6.0622    7.0487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    9.1487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1871    9.6611    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.7487    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    7.7871    7.2363    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1487    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4487    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.0622    0.0487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5622    2.1724    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.9944    1.1747    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.3027    2.1366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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 31 33  1  0  0  0  0
 31 34  1  0  0  0  0
 29 35  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004227-3D
FYIcenter.com

 51 53  0  0  0  0  0  0  0  0999 V2000
    7.6315    5.2794    3.6088 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.7885    4.9550    3.8663 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7764    6.0197    4.2219 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4667    6.5006    2.9774 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0931    5.8591    1.8538 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.2594    7.8225    2.7870 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.8056    6.3240    3.1047 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.3010    3.6625    3.8885 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5851    2.4885    3.5421 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3521    2.5396    2.8970 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6406    1.3737    2.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2001    0.1428    2.9805 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4828    0.0412    3.5232 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1362   -1.2139    3.7312 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6927   -2.3865    3.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7264   -2.4243    2.3720 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7717   -4.7495    2.6235 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2033   -6.0602    2.7447 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4627   -6.2765    3.2254 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2424   -5.1717    3.5457 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5887   -5.3207    3.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8549   -5.3308    5.0805 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0803   -6.6930    5.4744 O   0  0  0  0  0  0  0  0  0  0  0  0
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 32 49  1  0  0  0  0
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 33 50  1  0  0  0  0
 35 51  1  0  0  0  0
M  END
$$$$

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2023-09-10, 2339👍, 0💬