Molecule FYI-1015891

A

Molecule Summary:

ID: FYI-1015891
Names:
InChIKey: PHIOXAZQVZNFGN-YBEGLDIGSA-N
SMILES: CCN(CC)CC(=O)NC(=O)c3c(C)[nH]c(C=c1c(=O)[nH]c2ccc(F)cc12)c3C

Received at FYIcenter.com on: 2025-10-29

Molecule ID: FYI-1015891 Edit

Molecule Structure InChIKey: PHIOXAZQVZNFGN-YBEGLDIGSA-N

Molecule Structure SMILES String: CCN(CC)CC(=O)NC(=O)c3c(C)[nH]c(C=c1c(=O)[nH]c2ccc(F)cc12)c3C

Download SDF Download SVG Structure in 2D SDF:

FYI-1015891
FYIcenter.com

 30 32  0  0  0  0  0  0  0  0999 V2000
   12.7360   10.8245    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.1686    9.4930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5381    9.2019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9707    7.8704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0339    6.8300    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6645    7.1211    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9645    5.9087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9013    4.8682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1803    5.4377    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.6102    3.4989    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5722    5.7624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0028    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6334    4.1923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5929    5.1291    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7660    2.2306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0571    0.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    3.2709    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2318    8.4526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 20 19  1  0  0  0  0
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 28 27  1  0  0  0  0
 29 27  1  0  0  0  0
 29 12  1  0  0  0  0
 30  6  2  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015891-3D
FYIcenter.com

 55 57  0  0  0  0  0  0  0  0999 V2000
    1.0487    1.7946    1.6993 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4775    2.3272    1.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6055    3.6247    1.0048 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7741    4.6924    1.6011 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0961    5.0952    3.0425 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0148    4.0741    0.9362 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9757    3.1533    0.1547 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6384    2.2000   -0.5482 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3265    3.4407    0.2648 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8723    4.6221    0.7113 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2004    5.5449    1.1613 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3328    4.7184    0.7055 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2722    4.1861   -0.1697 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1896    3.3648   -1.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5145    4.6268    0.2433 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4078    5.4576    1.3276 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5194    6.1027    1.9257 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8161    6.0837    1.5917 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5556    5.3739    0.4882 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1009    4.6377   -0.3671 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.8857    5.7329    0.6530 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.0531    6.5895    1.7354 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2357    7.1392    2.1893 C   0  0  0  0  0  0  0  0  0  0  0  0
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   14.8921    9.0467    4.9885 F   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0643    5.5238    1.6564 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4465    6.3037    2.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
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 29 30  1  0  0  0  0
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 30 55  1  0  0  0  0
M  END
$$$$

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2025-11-06, 698👍, 0💬