Molecule FYI-1001567

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A

Molecule Summary:

ID: FYI-1001567
SMILES: c1(c2c3ccc(cc3[nH]n2)Cl)cccc(c1)C#N

Received at FYIcenter.com on: 2022-09-10

Molecule ID: FYI-1001567 Edit

Molecule Structure SMILES String: c1(c2c3ccc(cc3[nH]n2)Cl)cccc(c1)C#N

Download SDF Download SVG Structure in 2D SDF:

FYI-1001567
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    3.4281    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.6248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.6630    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.0553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    4.7553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    6.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    6.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    6.1553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    8.2553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    9.6553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.8553    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  5  1  0  0  0  0
 11  1  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15  1  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  3  0  0  0  0
 18 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001567-3D
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    1.6340    1.2302    0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3838    2.4891   -0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3414    2.9131   -1.0179 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8900    2.3843   -2.2050 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8516    3.1215   -2.9067 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2484    4.3758   -2.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7073    4.9373   -1.2905 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7551    4.1745   -0.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0407    4.4259    0.5356 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2012    3.4413    0.8926 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4282    5.2601   -3.3420 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.1949    0.0357   -0.4574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4562   -1.1485   -0.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1542   -1.1594    0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4068    0.0121    0.5455 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3314    1.2021    0.5390 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7375   -0.0090    1.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8162   -0.0406    1.5048 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5769    1.4182   -2.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2799    2.7052   -3.8143 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0099    5.9183   -0.9432 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0732    5.2587    1.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2209    0.0059   -0.8142 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9006   -2.0605   -0.8604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4146   -2.0873    0.0133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1095    2.1160    0.9368 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  1  0  0  0  0
  1 16  2  0  0  0  0
  2  3  1  0  0  0  0
  2 10  2  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  2  0  0  0  0
  6 11  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 22  1  0  0  0  0
 12 13  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 15  2  0  0  0  0
 14 25  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 26  1  0  0  0  0
 17 18  3  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 1449👍, 0💬