Molecule FYI-1015060

A

Molecule Summary:

ID: FYI-1015060
Names:
InChIKey: IQEDNBLIVFEYCJ-UHFFFAOYSA-N
SMILES: Nc3ccc(C(=O)Nc2cc(c1ccc(F)cc1)ccc2N)cc3

Received at FYIcenter.com on: 2025-06-20

Molecule ID: FYI-1015060 Edit

Molecule Structure InChIKey: IQEDNBLIVFEYCJ-UHFFFAOYSA-N

Molecule Structure SMILES String: Nc3ccc(C(=O)Nc2cc(c1ccc(F)cc1)ccc2N)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1015060
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    4.8498    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.3999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.5999    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
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    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
    2.4249    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.7999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  6  1  0  0  0  0
 10  1  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  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  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 21  2  0  0  0  0
 22 16  1  0  0  0  0
 23 15  2  0  0  0  0
 23 11  1  0  0  0  0
 24 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015060-3D
FYIcenter.com

 40 42  0  0  0  0  0  0  0  0999 V2000
   -5.3326   -4.0716    3.6354 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1162   -3.0620    2.6921 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7010   -1.7878    3.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3235   -0.8146    2.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3161   -1.1326    0.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8453   -0.1854   -0.2545 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2954   -0.6636   -1.2390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1390    1.1554   -0.0553 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7825    2.2208   -0.9231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7519    2.0978   -1.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3242    3.1719   -2.6730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1512    3.0213   -3.5728 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8544    1.7903   -4.1949 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3089    1.6136   -4.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1836    2.6758   -5.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3063    2.5054   -5.8276 F   0  0  0  0  0  0  0  0  0  0  0  0
    0.9132    3.9110   -4.5480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2439    4.0803   -3.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9989    4.3905   -2.5161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0256    4.5356   -1.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4532    3.4520   -0.7954 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4145    3.6737    0.2166 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6818   -2.4215    0.3929 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0651   -3.3800    1.3345 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6270   -3.7442    4.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8987   -4.8437    3.2971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6467   -1.5497    4.1568 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9818    0.1535    2.5150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7253    1.4118    0.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2062    1.1617   -1.9342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5227    0.9376   -4.0819 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5380    0.6501   -5.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6119    4.7299   -4.6845 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4064    5.0481   -3.3107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7227    5.2579   -3.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4922    5.5113   -1.4607 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9756    4.5032    0.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0130    2.8698    0.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6410   -2.6961   -0.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3032   -4.3850    0.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  2  0  0  0  0
  3  4  2  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  2  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  2  0  0  0  0
 13 14  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 18 34  1  0  0  0  0
 19 20  2  0  0  0  0
 19 35  1  0  0  0  0
 20 21  1  0  0  0  0
 20 36  1  0  0  0  0
 21 22  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 24 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-06-21, 1143👍, 0💬