Molecule FYI-1003209

A

Molecule Summary:

ID: FYI-1003209
Names:
InChIKey: QTNZYOJKTXXWML-UHFFFAOYSA-N
SMILES: O=C(c1cccc(F)c1)N(Cc2ccc(F)cc2)CC4CC(c3ccccc3)=NO4

Received at FYIcenter.com on: 2023-05-24

Molecule ID: FYI-1003209 Edit

Molecule Structure InChIKey: QTNZYOJKTXXWML-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(c1cccc(F)c1)N(Cc2ccc(F)cc2)CC4CC(c3ccccc3)=NO4

Download SDF Download SVG Structure in 2D SDF:

FYI-1003209
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    6.0623   10.0834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    8.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.9834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    3.7834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3412    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2781    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5781    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.2086    0.2911    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6704    1.3587    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2398    2.6377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6321    2.7840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4550    1.6514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8856    0.3724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4933    0.2261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.8834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.2834    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    7.9834    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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  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
 13  9  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  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
 19 14  1  0  0  0  0
 20  7  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 26  2  0  0  0  0
 28 22  1  0  0  0  0
 29  5  1  0  0  0  0
 30 29  2  0  0  0  0
 30  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003209-3D
FYIcenter.com

 50 53  0     1  0  0  0  0  0999 V2000
   -5.4552   -3.8062    1.8007 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0939    5.3029   -0.5172 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.0963   -0.6960   -2.1604 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1727    1.9717   -1.0618 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4650    0.3606   -0.8006 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1557   -1.5033   -1.6784 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9310    0.4023   -1.2548 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.1712    0.0680   -0.2586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2879    0.5823   -0.6147 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8115   -0.8003   -0.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1310   -0.7218   -1.5369 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0707    1.6289   -0.6349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0001   -1.3004   -0.0877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0174   -1.5443   -0.6469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3142    2.6490    0.1085 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6702   -0.4711    0.8115 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4504   -2.6027   -0.3041 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5023   -2.6620    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3559   -1.1907   -0.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4511    3.5095   -0.5699 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4612    2.7563    1.4915 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7908   -0.9439    1.4944 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5709   -3.0756    0.3788 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3257   -3.4261    0.8366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1793   -1.9548    0.3501 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2412   -2.2461    1.2780 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6643   -3.0724    1.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2648    4.4772    0.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7452    3.7242    2.1959 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1179    4.5846    1.5174 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6811    1.2855   -1.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0214    0.6233    0.6702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1334   -0.9899    0.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2357    0.9031    0.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9116    1.2730   -1.1915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3885   -1.3498   -2.0407 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7374   -0.2700   -2.3320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3561    0.5505    1.0003 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9460   -3.2691   -0.9985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4642   -2.9554   -0.1191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7730   -0.3253   -0.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3360    3.4439   -1.6485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1311    2.0907    2.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3142   -0.2978    2.1932 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9218   -4.0896    0.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9256   -4.2975    1.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2217   -1.6803    0.4824 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1139   -2.6142    1.8094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8594    3.8077    3.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6758    5.3380    2.0655 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4 12  2  0  0  0  0
  5  8  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 13  1  0  0  0  0
 11 14  1  0  0  0  0
 11 36  1  0  0  0  0
 11 37  1  0  0  0  0
 12 15  1  0  0  0  0
 13 16  2  0  0  0  0
 13 17  1  0  0  0  0
 14 18  2  0  0  0  0
 14 19  1  0  0  0  0
 15 20  2  0  0  0  0
 15 21  1  0  0  0  0
 16 22  1  0  0  0  0
 16 38  1  0  0  0  0
 17 23  2  0  0  0  0
 17 39  1  0  0  0  0
 18 24  1  0  0  0  0
 18 40  1  0  0  0  0
 19 25  2  0  0  0  0
 19 41  1  0  0  0  0
 20 28  1  0  0  0  0
 20 42  1  0  0  0  0
 21 29  2  0  0  0  0
 21 43  1  0  0  0  0
 22 26  2  0  0  0  0
 22 44  1  0  0  0  0
 23 26  1  0  0  0  0
 23 45  1  0  0  0  0
 24 27  2  0  0  0  0
 24 46  1  0  0  0  0
 25 27  1  0  0  0  0
 25 47  1  0  0  0  0
 26 48  1  0  0  0  0
 28 30  2  0  0  0  0
 29 30  1  0  0  0  0
 29 49  1  0  0  0  0
 30 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-06-12, 1433👍, 0💬