Molecule FYI-1014451

A

Molecule Summary:

ID: FYI-1014451
Names:
InChIKey: NOTWHCKLVXYGSW-UHFFFAOYSA-N
SMILES: O=C(NN1CC(F)CC1F)c4cc(c2ccccn2)n(c3c(Cl)cccc3Cl)n4

Received at FYIcenter.com on: 2025-04-17

Molecule ID: FYI-1014451 Edit

Molecule Structure InChIKey: NOTWHCKLVXYGSW-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NN1CC(F)CC1F)c4cc(c2ccccn2)n(c3c(Cl)cccc3Cl)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014451
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    5.7378    7.6307    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1338    7.7774    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9588    6.6418    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3547    6.7886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9257    8.0709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1006    9.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7047    9.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1596    5.7332    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3879    5.3595    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0149    5.0678    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8682    3.6718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1505    3.1009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1309    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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  9  3  1  0  0  0  0
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 11 10  2  0  0  0  0
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 27 23  1  0  0  0  0
 28 26  1  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014451-3D
FYIcenter.com

 44 47  0  0  1  0  0  0  0  0999 V2000
    1.0928   -0.3798   -0.6435 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1451   -0.1556   -0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6859    1.1121    0.1367 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0225    2.2515   -0.3821 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4500    2.5789   -1.7566 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4310    4.1037   -1.8438 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6564    4.5273   -2.8723 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.8435    4.5749   -0.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2363    3.4601    0.4099 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5608    3.5721    0.6991 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9617   -1.2433    0.5085 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7486   -3.2994    0.9348 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9696   -4.7433    0.9132 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8934   -5.6299    0.9641 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1490   -6.9919    1.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.4728   -6.4831    0.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2566   -5.1508    0.8909 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5410   -2.3157    1.5409 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6931   -2.4360    2.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7620   -1.5160    2.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.1044   -4.4642    4.7742 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
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  6 33  1  0  0  0  0
  8  9  1  0  0  0  0
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  8 35  1  0  0  0  0
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  9 36  1  0  0  0  0
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 27 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 150👍, 0💬