Molecule FYI-1005856

A

Molecule Summary:

ID: FYI-1005856
Names:
InChIKey: YZEZNZGQOXRCQI-UHFFFAOYSA-N
SMILES: CCN1C(=O)NCC1C(=O)NCc2cccc(C(F)(F)F)c2Cl

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005856 Edit

Molecule Structure InChIKey: YZEZNZGQOXRCQI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN1C(=O)NCC1C(=O)NCc2cccc(C(F)(F)F)c2Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1005856
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    5.2365    3.0035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5681    2.5708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6084    3.5077    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9779    3.2166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5472    1.9376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6779    4.4290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7410    5.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4621    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2497    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1875    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8000    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.6124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8248    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  2  0  0  0  0
 22 13  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005856-3D
FYIcenter.com

 38 39  0     1  0  0  0  0  0999 V2000
   -2.3292   -0.3280    2.1733 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.4283    1.3811   -0.4761 F   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2202    0.2046    1.3340 F   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9808    1.9666    1.0373 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3149    1.2316   -1.4283 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9657   -1.1261   -1.0220 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9813    0.1461    0.1898 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2471    2.0757   -0.7182 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6913   -1.0259    0.9234 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6503    0.3363    0.7345 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.2713    1.7449    0.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8123   -0.9920    0.5262 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3076    1.1523   -0.7378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7539   -0.6848    0.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3303   -1.9733    0.5396 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7403   -0.6788    1.6817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4587   -1.3141   -0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4186   -0.5442    0.4573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -1.4890   -1.5814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4507    0.0510   -0.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5631   -0.8938   -2.3067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5230   -0.1238   -1.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5019    0.8835    0.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6760    0.2371    1.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2652    1.8355   -0.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3911    2.4653    1.1085 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1771   -1.8518    0.7613 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4148   -1.2447   -0.3531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2249    2.9207   -1.2802 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5964   -0.5760    1.8293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6883   -2.4789    1.4430 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1337   -2.7524   -0.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3933    0.1678    1.4447 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1728   -0.4191    2.5815 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3703   -1.5434    1.9117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7910   -2.0840   -2.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6189   -1.0295   -3.3828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3171    0.3295   -2.2368 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2 23  1  0  0  0  0
  3 23  1  0  0  0  0
  4 23  1  0  0  0  0
  5 13  2  0  0  0  0
  6 14  2  0  0  0  0
  7 10  1  0  0  0  0
  7 12  1  0  0  0  0
  7 13  1  0  0  0  0
  8 11  1  0  0  0  0
  8 13  1  0  0  0  0
  8 29  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 14  1  0  0  0  0
 10 24  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 16  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 15 17  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 21  2  0  0  0  0
 19 36  1  0  0  0  0
 20 22  2  0  0  0  0
 20 23  1  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END
$$$$

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2023-11-25, 1272👍, 0💬