Molecule FYI-1002509

A

Molecule Summary:

ID: FYI-1002509
Names:
InChIKey: LWODHEYSDMARCT-UHFFFAOYSA-N
SMILES: CCC(=O)Nc4cc(c2c(c1ccc(F)cc1)nn3CC(C(F)F)Cc23)ccn4

Received at FYIcenter.com on: 2023-04-05

Molecule ID: FYI-1002509 Edit

Molecule Structure InChIKey: LWODHEYSDMARCT-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(=O)Nc4cc(c2c(c1ccc(F)cc1)nn3CC(C(F)F)Cc23)ccn4

Download SDF Download SVG Structure in 2D SDF:

FYI-1002509
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    4.6916    6.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1242    7.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9916    8.5492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8590    7.7263    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2916    6.3948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2568    8.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8242    9.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4242    9.8807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6471   11.0133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0395   10.8670    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0777   12.2923    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4687    5.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5145    5.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9451    3.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7680    2.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1603    2.9969    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7297    4.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9068    5.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0764    5.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2535    4.2759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    2.9969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    2.8506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0381    3.9832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.8643    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.1985    1.5716    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8062    1.4253    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2368    0.1463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9833    2.5579    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8444    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  1  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  3  8  1  0  0  0  0
  2  6  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  5 12  1  0  0  0  0
  1 13  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 13 18  1  0  0  0  0
 13 14  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 12 23  1  0  0  0  0
 12 19  2  0  0  0  0
 21 24  1  0  0  0  0
 15 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 27 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002509-3D
FYIcenter.com

 48 51  0  0  1  0  0  0  0  0999 V2000
    9.0859   -7.8759   -2.0185 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8752   -7.1909   -1.4099 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3490   -6.0904   -2.3031 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7941   -5.8885   -3.4339 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3415   -5.3579   -1.7102 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7840   -4.2563   -2.3642 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3244   -4.3603   -3.6697 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8046   -3.2269   -4.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3017   -3.2941   -5.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4014   -2.3911   -6.7897 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1522   -1.1282   -6.8855 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3454   -0.9368   -6.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0289    0.2792   -6.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5522    1.2929   -7.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2235    2.4492   -7.1116 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.3938    1.1202   -7.7862 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6890   -0.0862   -7.7039 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6965   -2.8587   -7.8507 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2520   -4.0329   -7.4167 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326   -5.0118   -8.1026 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9645   -5.8910   -6.9184 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8704   -7.3514   -7.2889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9664   -7.5090   -8.2846 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0597   -7.7873   -7.7633 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.9834   -5.6481   -5.7718 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5586   -4.3367   -6.1409 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8066   -2.0265   -3.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2944   -2.0201   -2.2887 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7306   -3.1221   -1.6431 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4079   -8.7147   -1.3983 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9225   -7.1736   -2.1126 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8613   -8.2572   -3.0222 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1416   -6.7710   -0.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0714   -7.9238   -1.2672 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3936   -5.2382   -0.7085 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3744   -5.3114   -4.1875 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7612   -1.7312   -5.5529 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9298    0.4313   -5.6347 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0449    1.9221   -8.4289 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7761   -0.2110   -8.2831 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0721   -5.5330   -8.8184 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6039   -4.5040   -8.6002 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9756   -5.5337   -6.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5792   -7.9772   -6.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7667   -6.4140   -5.7559 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4867   -5.6278   -4.7981 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4587   -1.0987   -4.0278 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3639   -1.0935   -1.7259 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  1  0  0  0  0
  2 33  1  0  0  0  0
  2 34  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  2  0  0  0  0
  7  8  2  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 26  2  0  0  0  0
 10 11  1  0  0  0  0
 10 18  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  2  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 39  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 26  1  0  0  0  0
 20 21  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 25  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 22 44  1  0  0  0  0
 25 26  1  0  0  0  0
 25 45  1  0  0  0  0
 25 46  1  0  0  0  0
 27 28  2  0  0  0  0
 27 47  1  0  0  0  0
 28 29  1  0  0  0  0
 28 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-26, 2488👍, 0💬