Molecule FYI-1005802

A

Molecule Summary:

ID: FYI-1005802
Names:
InChIKey: XFZSCDGJFRGWNK-UHFFFAOYSA-N
SMILES: O=[N+](O)c4cccc(Nc3nccc(Nc1ccc(F)cc1CN2CCOCC2)n3)c4

Received at FYIcenter.com on: 2023-11-16

Molecule ID: FYI-1005802 Edit

Molecule Structure InChIKey: XFZSCDGJFRGWNK-UHFFFAOYSA-N

Molecule Structure SMILES String: O=[N+](O)c4cccc(Nc3nccc(Nc1ccc(F)cc1CN2CCOCC2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1005802
FYIcenter.com

 31 34  0  0  0  0  0  0  0  0999 V2000
    0.0000    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2124    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    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
    2.4248    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.0000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  2  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
  9  4  1  0  0  0  0
 10  8  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  2  0  0  0  0
 16 11  1  0  0  0  0
 17 15  1  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 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 24 18  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 31 26  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005802-3D
FYIcenter.com

 53 56  0  0  0  0  0  0  0  0999 V2000
    5.5392   10.7906   -3.2894 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7211   11.2096   -2.1556 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.4769   12.5308   -1.9062 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1653   10.3173   -1.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4120   10.8244    0.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8308    9.9616    1.1692 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9823    8.6029    0.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7141    8.0715   -0.3695 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8357    6.7180   -0.6720 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3227    5.6255    0.0314 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1767    4.4627   -0.6231 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7061    3.3783   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3580    3.4202    1.1525 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4236    4.6460    1.7983 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9393    4.6165    3.1307 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.5194    5.6385    3.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8812    6.8652    4.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4215    7.8102    5.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5938    7.5281    5.7235 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1120    8.4366    6.5613 F   0  0  0  0  0  0  0  0  0  0  0  0
   11.2128    6.2977    5.5774 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6713    5.3311    4.7051 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3371    3.9656    4.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0094    3.1058    5.8180 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7644    1.8340    5.7632 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2415    0.8384    4.7123 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8500    0.5532    4.8932 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0601    1.7442    4.9236 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5773    2.7697    5.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9092    5.7470    1.2402 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3276    8.9551   -1.3822 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1895   12.7765   -2.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2822   11.8799    0.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0359   10.3330    2.1696 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3031    7.9582    1.7042 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4999    6.4087   -1.5742 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5873    2.4526   -0.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8084    2.5286    1.5652 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1411    4.2752    3.6696 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9344    7.0847    3.6701 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9232    8.7578    5.2090 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1048    6.0824    6.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4209    4.1530    4.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1547    3.4755    3.7018 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6826    1.3617    6.7509 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8318    2.0243    5.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7744   -0.1118    4.8201 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4163    1.1938    3.6903 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0421    1.4484    5.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0101    2.1571    3.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4378    2.3400    6.9465 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9488    3.6662    5.9363 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1447    8.5803   -2.3880 H   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
  2  4  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  2  0  0  0  0
  5  6  2  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  2  0  0  0  0
  7 35  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  2  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  2  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  1  0  0  0  0
 24 29  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
 26 27  1  0  0  0  0
 26 47  1  0  0  0  0
 26 48  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 51  1  0  0  0  0
 29 52  1  0  0  0  0
 31 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-23, 1621👍, 0💬