Molecule FYI-1016085

Home > Molecule

A

Molecule Summary:

ID: FYI-1016085
Names:
InChIKey: NKXPZBIDAPYJFC-UHFFFAOYSA-N
SMILES: NCCCCCCCCCCNC(=O)c1ccccc1

Received at FYIcenter.com on: 2025-11-13

Molecule ID: FYI-1016085 Edit

Molecule Structure InChIKey: NKXPZBIDAPYJFC-UHFFFAOYSA-N

Molecule Structure SMILES String: NCCCCCCCCCCNC(=O)c1ccccc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016085
FYIcenter.com

 20 20  0  0  0  0  0  0  0  0999 V2000
   15.7620    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5496    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3372    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6999    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4875    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2751    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0625    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8501    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6377    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4253    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2128    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2126    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4250    2.8001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  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  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
 15 16  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016085-3D
FYIcenter.com

 48 48  0     0  0  0  0  0  0999 V2000
    4.1565   -1.6243   -1.2661 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9346   -1.3592    0.6879 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4624    1.9415   -0.0284 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4376   -0.8268    0.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7745   -0.8042   -0.2570 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3839   -1.7113   -0.1804 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8224    0.0995    0.3987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0431   -1.7245    0.5617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1418    0.0658   -0.3774 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9869   -2.6697   -0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2077    1.0075    0.1918 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3176   -2.6573    0.6821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4963    1.0281   -0.6297 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8171   -0.9429   -0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3897    0.4179   -0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6341    0.7227   -0.6892 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6817    1.3914    0.5668 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1707    2.0013   -0.5359 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2181    2.6699    0.7202 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4627    2.9747    0.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6052   -1.1792    1.5166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0514    0.1972    0.5672 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6019   -0.4684   -1.2871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1658   -1.8273   -0.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2217   -1.3658   -1.2087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7683   -2.7366   -0.2471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4438    1.1278    0.4388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9960   -0.2233    1.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3507   -0.7013    0.5830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2123   -2.0211    1.6044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5340   -0.9587   -0.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9502    0.3392   -1.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5894   -3.6915   -0.0685 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1493   -2.3833   -1.1117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4313    0.7057    1.2232 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7945    2.0233    0.2428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1707   -2.9539    1.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0027   -3.3789    0.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9277    0.0225   -0.6804 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2840    1.3533   -1.6536 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7431   -0.7689    1.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6879    1.6299    0.9155 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3335    1.9065   -0.5563 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2030   -0.0231   -1.2382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6964    1.2062    0.9840 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1399    2.2387   -0.9647 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6640    3.4306    1.2624 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8797    3.9706    0.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2 12  1  0  0  0  0
  2 14  1  0  0  0  0
  2 41  1  0  0  0  0
  3 13  1  0  0  0  0
  3 42  1  0  0  0  0
  3 43  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  9  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8 10  1  0  0  0  0
  8 29  1  0  0  0  0
  8 30  1  0  0  0  0
  9 11  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 12  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 13  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 37  1  0  0  0  0
 12 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 44  1  0  0  0  0
 17 19  2  0  0  0  0
 17 45  1  0  0  0  0
 18 20  2  0  0  0  0
 18 46  1  0  0  0  0
 19 20  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2026-04-13, 430👍, 0💬