Molecule FYI-1016135

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A

Molecule Summary:

ID: FYI-1016135
Names:
InChIKey: NIZAKXPKAQKXTB-UHFFFAOYSA-N
SMILES: O=C1CCCCCCCCNC(=O)CCCCCCCCN1

Received at FYIcenter.com on: 2025-11-25

Molecule ID: FYI-1016135 Edit

Molecule Structure InChIKey: NIZAKXPKAQKXTB-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCCCCCNC(=O)CCCCCCCCN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016135
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.0000    4.1425    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1537    4.9357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3296    6.3246    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3906    4.2799    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6253    4.9399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7435    4.0975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8921    4.8978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1596    4.3032    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2686    5.1576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0045    3.9666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3358    4.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7906    2.9871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8902    3.1144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0790    2.3748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3776    2.8978    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9575    0.9801    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5623    0.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4611    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3520    0.8543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1432    0.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2260    1.2059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8713    0.8527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  1 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 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
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016135-3D
FYIcenter.com

 56 56  0  0  0  0  0  0  0  0999 V2000
    7.4443   -1.9242    1.5310 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9392   -1.2650    0.6239 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4709   -1.0257    0.4185 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6274   -1.9503    0.9472 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1044   -1.4389    0.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1483   -0.0566   -0.0155 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4832    0.6166   -0.4275 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0284    1.9023   -1.1338 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9765    2.9523   -1.7233 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0043    3.9925   -2.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4715    5.1804   -2.9816 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7648    6.2137   -3.5271 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4128    7.1341   -4.0103 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2072    6.2932   -3.5905 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4023    5.1748   -2.9739 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8661    5.2092   -2.9911 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4787    3.9141   -2.2635 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0185    3.5369   -2.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0742    2.1997   -1.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7619    1.5030   -0.9624 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9170    0.1866   -0.1278 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1335   -0.6572   -0.3779 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6022   -0.9543   -0.6528 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6246   -0.0575    0.8978 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5448   -2.0973    2.0305 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5306   -2.9592    0.5137 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6058   -2.1582   -0.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6917   -1.4257    1.5580 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6447    0.6379    0.6689 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5450   -0.1223   -0.9290 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0636   -0.0156   -1.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1000    0.8499    0.4504 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3821    2.4337   -0.4227 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3760    1.5803   -1.9581 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6213    2.5295   -2.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6156    3.4047   -0.9579 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3938    4.3461   -1.4796 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3914    3.4675   -3.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4759    5.3251   -3.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9417    6.3776   -4.6502 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9275    7.2333   -3.1028 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6842    5.1120   -1.9206 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6785    4.2507   -3.4880 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4880    5.2211   -4.0174 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4862    6.0879   -2.4613 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9543    3.9390   -1.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9435    3.0824   -2.8063 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4991    3.4206   -3.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4979    4.3096   -1.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5970    2.3704   -0.3151 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6817    1.5002   -1.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2509    1.2913   -1.9125 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0897    2.1979   -0.4276 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7968    0.3862    0.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0553   -0.4297   -0.4246 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7378   -1.4705   -0.8399 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 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  8  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 39  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 43  1  0  0  0  0
 16 17  1  0  0  0  0
 16 44  1  0  0  0  0
 16 45  1  0  0  0  0
 17 18  1  0  0  0  0
 17 46  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  1  0  0  0  0
 18 48  1  0  0  0  0
 18 49  1  0  0  0  0
 19 20  1  0  0  0  0
 19 50  1  0  0  0  0
 19 51  1  0  0  0  0
 20 21  1  0  0  0  0
 20 52  1  0  0  0  0
 20 53  1  0  0  0  0
 21 22  1  0  0  0  0
 21 54  1  0  0  0  0
 21 55  1  0  0  0  0
 22 56  1  0  0  0  0
M  END
$$$$

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