Molecule FYI-1016132

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Molecule Summary:

ID: FYI-1016132
Names:
InChIKey: NBHFRDHPYCHKSD-UHFFFAOYSA-N
SMILES: O=C1CCCCCCCC(=O)NCCCCCCCCCN1

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

Molecule ID: FYI-1016132 Edit

Molecule Structure InChIKey: NBHFRDHPYCHKSD-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCCCCC(=O)NCCCCCCCCCN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016132
FYIcenter.com

 22 22  0  0  0  0  0  0  0  0999 V2000
    0.9523    2.1381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2205    1.5452    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5416    2.0085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8022    1.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8378    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0065    2.1134    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2664    1.5030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1344    3.5262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9381    5.3858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4984    6.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4727    7.7204    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8614    8.9799    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8562    7.9344    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1260    8.5239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2690    7.7154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4220    6.9213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4049    5.5214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6747    4.9319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8139    3.8278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1161    3.3137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9671    2.2020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  1  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
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
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 15 16  1  0  0  0  0
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 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  7  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016132-3D
FYIcenter.com

 56 56  0  0  0  0  0  0  0  0999 V2000
    9.3868    1.7502    0.6631 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4676    0.8851   -0.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8410    0.4231   -0.8698 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2586    1.0403   -0.4279 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5273    1.4977   -1.3287 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5886    2.8293   -2.1291 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0402    3.3819   -2.6083 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7237    4.6128   -3.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5864    5.6267   -4.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7785    6.7034   -5.0789 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3940    7.5569   -5.7429 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.4022    6.7893   -5.1292 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.4506    5.9498   -4.4615 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9669    6.1786   -4.5936 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3403    5.0665   -3.7519 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8166    5.0845   -3.7471 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4289    3.9378   -2.8519 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9426    3.6270   -2.6419 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0860    2.4010   -1.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0443    1.5042   -1.2013 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8321    0.4420   -0.3371 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2989    0.1942   -0.6740 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7324    0.4066   -1.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8863   -0.6264   -0.5366 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1277    1.7544    0.3908 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7188    0.1592    0.0531 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8150    0.6774   -1.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3552    1.5803   -0.6050 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1296    3.6235   -1.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9800    2.6986   -3.0291 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5805    2.6435   -3.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6437    3.6877   -1.7593 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1698    5.2220   -2.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1476    4.1489   -4.2875 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2359    5.1278   -4.9825 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2249    6.1926   -3.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0545    7.5483   -5.7047 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6474    6.0568   -3.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6190    4.9392   -4.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6430    6.0938   -5.6352 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6756    7.1582   -4.2069 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7105    5.1326   -2.7163 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6880    4.0863   -4.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4336    4.9286   -4.7563 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4424    6.0275   -3.3486 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8902    4.1048   -1.8672 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9157    3.0368   -3.2571 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4378    3.4207   -3.5891 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4328    4.4506   -2.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6544    2.7352   -0.9041 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6926    1.7132   -2.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4579    1.0241   -2.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3273    2.0509   -0.5739 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7577    0.7249    0.7183 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3104   -0.5164   -0.4683 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4608   -0.6000   -1.2772 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  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  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
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 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
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 19 20  1  0  0  0  0
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 19 51  1  0  0  0  0
 20 21  1  0  0  0  0
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 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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