Molecule FYI-1013961

A

Molecule Summary:

ID: FYI-1013961
Names:
InChIKey: YDLLKFAUDNIQIH-UHFFFAOYSA-N
SMILES: O=C(NCC1C=CC=C(OC(F)F)C1)C3=CC2CCCCC2N3

Received at FYIcenter.com on: 2025-02-14

Molecule ID: FYI-1013961 Edit

Molecule Structure InChIKey: YDLLKFAUDNIQIH-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(NCC1C=CC=C(OC(F)F)C1)C3=CC2CCCCC2N3

Download SDF Download SVG Structure in 2D SDF:

FYI-1013961
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.4871    5.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    7.2746    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4072    8.5229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746    9.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6746   11.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9746   12.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746   12.2792    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8746   11.0668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5746    9.8544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1420    8.5229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
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  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
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  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
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 15  2  1  0  0  0  0
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 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 23 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013961-3D
FYIcenter.com

 45 47  0  0  1  0  0  0  0  0999 V2000
    0.8670    0.4704   -1.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9313    0.4617   -0.4017 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4311    1.4595    0.4015 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7339    2.6690    0.7935 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7928    2.4780    2.0042 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5603    1.9716    3.2120 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9065    2.7716    4.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5594    4.1705    4.2302 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6587    4.6720    3.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3445    6.0191    3.4461 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0011    6.3695    3.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8481    5.6522    3.9210 F   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1671    7.6729    3.4835 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0248    3.7986    2.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8937   -0.6969   -0.3798 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7260   -1.9647   -0.8084 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9498   -2.7800   -0.4003 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7589   -4.2418    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4173   -4.5383    1.3769 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7913   -3.6737    2.4625 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7909   -2.1945    2.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5002   -1.8978    0.7529 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1055   -0.5490    0.3311 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2811    1.2066    0.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8600   -2.3431   -1.3243 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.3095   -3.8194    3.4154 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.7916   -0.1631   -0.3248 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
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  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
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  5 27  1  0  0  0  0
  6  7  2  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  2  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
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 11 13  1  0  0  0  0
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 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
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 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
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 21 22  1  0  0  0  0
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 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 23 45  1  0  0  0  0
M  END
$$$$

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2025-03-12, 995👍, 0💬