Molecule FYI-1003054

A

Molecule Summary:

ID: FYI-1003054
Names:
InChIKey: ISZKUZGOMOSUGL-UHFFFAOYSA-N
SMILES: N#Cc3cc(c2ccc(c1cc(F)c(O)c(F)c1)c(N)n2)ccc3O

Received at FYIcenter.com on: 2023-05-10

Molecule ID: FYI-1003054 Edit

Molecule Structure InChIKey: ISZKUZGOMOSUGL-UHFFFAOYSA-N

Molecule Structure SMILES String: N#Cc3cc(c2ccc(c1cc(F)c(O)c(F)c1)c(N)n2)ccc3O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003054
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    9.6995   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  3  0  0  0  0
  3  2  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  2  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 18 10  1  0  0  0  0
 19  9  1  0  0  0  0
 20 19  2  0  0  0  0
 20  6  1  0  0  0  0
 21  5  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23  3  1  0  0  0  0
 24 23  1  0  0  0  0
 19 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003054-3D
FYIcenter.com

 36 38  0  0  0  0  0  0  0  0999 V2000
    5.2939   -1.3307    3.9624 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1940   -0.9154    2.8813 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1050   -0.3647    1.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8874    0.7510    1.2319 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8110    1.3459   -0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5593    2.5787   -0.3551 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0296    2.8671   -1.6278 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6119    4.1092   -1.8668 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7501    5.0577   -0.8399 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3802    6.3761   -1.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9711    7.5617   -0.4881 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6142    8.7738   -0.7349 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2330    9.8723   -0.0673 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.6471    8.8626   -1.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2653   10.0557   -1.8966 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0409    7.7185   -2.3266 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0192    7.7677   -3.2412 F   0  0  0  0  0  0  0  0  0  0  0  0
    9.4293    6.4913   -2.0626 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2765    4.6569    0.4239 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3149    5.4879    1.5439 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6977    3.4588    0.6647 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9440    0.7593   -0.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1643   -0.3547   -0.6656 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2363   -0.9017    0.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4451   -1.9674    0.9324 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5548    1.1775    1.9821 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9403    2.1545   -2.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9318    4.3314   -2.8823 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1462    7.5665    0.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8458   10.7218   -1.3205 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8025    5.6260   -2.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2381    5.8713    1.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9723    4.9509    2.3366 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8349    1.1936   -1.9751 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4978   -0.7627   -1.4205 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8225   -2.1417    0.2059 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  2  0  0  0  0
  4  5  2  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  6  7  1  0  0  0  0
  6 21  2  0  0  0  0
  7  8  2  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  2  0  0  0  0
 10 11  1  0  0  0  0
 10 18  2  0  0  0  0
 11 12  2  0  0  0  0
 11 29  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 31  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 22 23  2  0  0  0  0
 22 34  1  0  0  0  0
 23 24  1  0  0  0  0
 23 35  1  0  0  0  0
 24 25  1  0  0  0  0
 25 36  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-05-31, 1356👍, 0💬