Molecule FYI-1016314

A

Molecule Summary:

ID: FYI-1016314
Names:
InChIKey: BCULOHBVEBFEPQ-UHFFFAOYSA-N
SMILES: O=C1CCCCCCCNC(=O)CCCCCNC(=O)CCCCCCCN1

Received at FYIcenter.com on: 2025-12-03

Molecule ID: FYI-1016314 Edit

Molecule Structure InChIKey: BCULOHBVEBFEPQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C1CCCCCCCNC(=O)CCCCCNC(=O)CCCCCCCN1

Download SDF Download SVG Structure in 2D SDF:

FYI-1016314
FYIcenter.com

 28 28  0  0  0  0  0  0  0  0999 V2000
   12.5963   10.0891    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3839    9.3891    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5374   10.5043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4403   11.3739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1612   11.9433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7808   12.1768    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3858   12.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0636   11.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8976   10.8245    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9608    9.7841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3122    8.5434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.0314    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9925    7.1804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0218    5.7807    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3983    4.4323    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0983    3.2198    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0779    2.2196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2753    1.4944    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6156    1.0897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0144    1.0311    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3838    1.3222    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8442    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6378    1.9446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6976    2.8595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4965    4.0090    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9846    5.3212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1309    6.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9264    8.0985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016314-3D
FYIcenter.com

 69 69  0     0  0  0  0  0  0999 V2000
   -4.5419   -1.3794   -2.1268 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1348    3.1562   -1.6162 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1592   -2.5407   -0.3804 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8701   -1.8629    0.0484 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4892   -1.6227    1.6480 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6327    2.8271    0.1268 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5213   -2.5136   -0.4340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2857    1.9695    2.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0866   -1.8847   -1.7652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4726    0.5049    1.8131 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5663   -1.5102    0.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2160    2.9700    1.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3410   -1.3362   -1.7900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7366    0.2484    0.9853 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0852   -2.0980    2.0391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1287    2.7159    0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4095   -2.4295   -1.7773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9801   -1.2421    0.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6696    0.8513   -1.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5136   -2.6388    2.0035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7194    2.6368    0.5925 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5743    0.8314    0.1209 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3327    2.2568   -1.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2272   -0.5295    0.3586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8346    3.2455   -0.5692 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7327   -1.8466   -1.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3675    2.8925   -0.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2394   -1.6713    0.4855 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1345   -3.3500   -0.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5161   -2.9419   -0.5908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3754    2.0517    2.8181 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1130    2.2639    2.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1983   -2.6307   -2.5617 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7775   -1.0677   -2.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5887    0.1633    1.2644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5167   -0.0946    2.7311 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1739   -0.6436    0.4433 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4434   -1.1304    0.9126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0610    3.9695    1.4822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1876    3.0118    0.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4880   -0.6283   -0.9678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4702   -0.7458   -2.7067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6070    0.6682    1.5031 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6567    0.7589    0.0187 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0231   -1.3150    2.8057 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4133   -2.9032    2.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1862    3.5320   -0.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3438    1.7974   -0.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1436   -3.2542   -1.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5330   -2.8600   -2.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8903   -1.3778    0.1518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1072   -1.7717    1.6954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1511    0.3053   -1.9347 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7392    0.3186   -0.8935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7878   -2.9920    3.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5949   -3.4945    1.3266 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    1.6520    1.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6003    3.3914    1.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9935    1.1216    1.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3730    1.5740    0.0047 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2309    2.6826   -2.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5889    2.1627   -2.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8335   -0.4925    1.2716 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9119   -0.7626   -0.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6015    3.4322    0.1893 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6190    4.2040   -1.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1348   -2.2747    0.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6493   -0.8707    2.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7242    2.5558    1.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 26  2  0  0  0  0
  2 27  2  0  0  0  0
  3 28  2  0  0  0  0
  4 18  1  0  0  0  0
  4 26  1  0  0  0  0
  4 67  1  0  0  0  0
  5 20  1  0  0  0  0
  5 28  1  0  0  0  0
  5 68  1  0  0  0  0
  6 25  1  0  0  0  0
  6 27  1  0  0  0  0
  6 69  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 13  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 14  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 15  1  0  0  0  0
 11 37  1  0  0  0  0
 11 38  1  0  0  0  0
 12 16  1  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 13 17  1  0  0  0  0
 13 41  1  0  0  0  0
 13 42  1  0  0  0  0
 14 18  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 15 20  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 21  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 26  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 51  1  0  0  0  0
 18 52  1  0  0  0  0
 19 22  1  0  0  0  0
 19 23  1  0  0  0  0
 19 53  1  0  0  0  0
 19 54  1  0  0  0  0
 20 55  1  0  0  0  0
 20 56  1  0  0  0  0
 21 27  1  0  0  0  0
 21 57  1  0  0  0  0
 21 58  1  0  0  0  0
 22 24  1  0  0  0  0
 22 59  1  0  0  0  0
 22 60  1  0  0  0  0
 23 25  1  0  0  0  0
 23 61  1  0  0  0  0
 23 62  1  0  0  0  0
 24 28  1  0  0  0  0
 24 63  1  0  0  0  0
 24 64  1  0  0  0  0
 25 65  1  0  0  0  0
 25 66  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-12-09, 674👍, 0💬