Molecule FYI-1010499

A

Molecule Summary:

ID: FYI-1010499
Names:
InChIKey: NCWVMHQXKMJLSL-UHFFFAOYSA-N
SMILES: CCCCCCNC(=O)c1ccc(C(=O)NCCCCCCN)cc1

Received at FYIcenter.com on: 2024-06-10

Molecule ID: FYI-1010499 Edit

Molecule Structure InChIKey: NCWVMHQXKMJLSL-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCNC(=O)c1ccc(C(=O)NCCCCCCN)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1010499
FYIcenter.com

 25 25  0  0  0  0  0  0  0  0999 V2000
    7.2750    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    9.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625   10.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2750   11.1997    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4874   10.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4874    9.0998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998   11.1998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501    8.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123   10.4998    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6376    9.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8500    6.9998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6998   12.5998    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6375    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123   13.2998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9122   14.6998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1247   15.3998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1246   16.7998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371   17.4998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3371   18.8998    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  2  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 10  2  0  0  0  0
  8 11  1  0  0  0  0
  7 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 12 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010499-3D
FYIcenter.com

 58 58  0     0  0  0  0  0  0999 V2000
    2.2304    2.7571   -1.5669 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6100   -2.5824   -1.0780 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6834    1.8010    0.4976 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9033   -0.7027   -1.4921 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4832   -3.3786    1.2555 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3829    0.5461    0.9247 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6923   -0.1098    0.4751 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1381    1.9166    0.2845 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2563   -0.1741    0.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9549   -1.4650    1.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9094   -1.5313   -0.3089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0546   -0.3476    1.6071 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8579    2.5754    0.7915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1644   -1.3944   -1.6331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4542    0.9795    2.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2593   -2.0804    0.6303 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3078    0.8135    3.5035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9547    1.9579   -0.6758 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7503    1.1000   -0.8175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6919   -1.3494   -1.2201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5122   -0.5105   -1.0824 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6894   -0.1303   -0.1627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3199    1.5249   -1.6047 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4418   -0.9354   -0.2953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4511    0.7196   -1.7373 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5532   -0.1296    0.6844 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3963    0.6564    2.0162 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5266    0.5671    0.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6703   -0.2364   -0.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0900    1.8025   -0.8053 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9858    2.5768    0.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3412    0.3893    0.5291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8414    0.4179   -0.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9987   -1.3358    2.2257 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1171   -2.1411    0.9251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3008   -2.1084    0.3982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8303   -2.1010   -0.4815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4649   -0.9337    2.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9617   -0.9272    1.3949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9005    2.7045    1.8784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7545    3.5691    0.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7651   -0.8297   -2.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9792   -2.3881   -2.0550 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5501    1.5432    2.5148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0090    1.5858    1.5296 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1029   -1.4185    0.8548 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2173   -2.2111   -0.4563 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3672    1.1636    1.2203 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9404    0.3099   -1.5380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2405    0.2897    3.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7731    0.2410    4.2680 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5612    1.7915    3.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5519   -3.2657    2.2661 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3805   -3.7514    0.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5120   -0.5124    0.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2900    2.4790   -2.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4690   -1.8915    0.2210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2477    1.0754   -2.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  2  0  0  0  0
  2 20  2  0  0  0  0
  3 13  1  0  0  0  0
  3 18  1  0  0  0  0
  3 48  1  0  0  0  0
  4 14  1  0  0  0  0
  4 20  1  0  0  0  0
  4 49  1  0  0  0  0
  5 16  1  0  0  0  0
  5 53  1  0  0  0  0
  5 54  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 26  1  0  0  0  0
  6 27  1  0  0  0  0
  7 10  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8 13  1  0  0  0  0
  8 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
  9 32  1  0  0  0  0
  9 33  1  0  0  0  0
 10 16  1  0  0  0  0
 10 34  1  0  0  0  0
 10 35  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
 12 38  1  0  0  0  0
 12 39  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 17  1  0  0  0  0
 15 44  1  0  0  0  0
 15 45  1  0  0  0  0
 16 46  1  0  0  0  0
 16 47  1  0  0  0  0
 17 50  1  0  0  0  0
 17 51  1  0  0  0  0
 17 52  1  0  0  0  0
 18 19  1  0  0  0  0
 19 22  2  0  0  0  0
 19 23  1  0  0  0  0
 20 21  1  0  0  0  0
 21 24  2  0  0  0  0
 21 25  1  0  0  0  0
 22 24  1  0  0  0  0
 22 55  1  0  0  0  0
 23 25  2  0  0  0  0
 23 56  1  0  0  0  0
 24 57  1  0  0  0  0
 25 58  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-30, 144👍, 0💬