Molecule FYI-1014464

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A

Molecule Summary:

ID: FYI-1014464
Names:
InChIKey: DSGQNSLUUVRZAY-UHFFFAOYSA-N
SMILES: CCCN3CCC(OC(=O)c2ccc1ncccc1c2)CC3

Received at FYIcenter.com on: 2025-04-20

Molecule ID: FYI-1014464 Edit

Molecule Structure InChIKey: DSGQNSLUUVRZAY-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCN3CCC(OC(=O)c2ccc1ncccc1c2)CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014464
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    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
  9  4  1  0  0  0  0
 10  7  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  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 13  1  0  0  0  0
 19 16  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014464-3D
FYIcenter.com

 44 46  0  0  0  0  0  0  0  0999 V2000
    0.9847   -1.7038   -0.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5009   -1.7193   -0.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0714   -0.5410   -1.3009 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5479   -0.5432   -1.3257 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0697   -1.7536   -1.9769 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5906   -1.7900   -1.9251 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1880   -0.5737   -2.6212 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8882   -0.5991   -4.0339 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6570   -1.4216   -4.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5632   -2.1305   -4.3921 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2478   -1.3479   -6.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2057   -0.5353   -6.6666 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8895   -0.4818   -8.0291 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5854   -1.2250   -8.9735 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2476   -1.1212  -10.2696 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.9462   -1.8531  -11.1655 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9799   -2.7052  -10.8265 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3265   -2.8104   -9.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6311   -2.0610   -8.5255 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9556   -2.1212   -7.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5894    0.7000   -2.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0563    0.6652   -2.0002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6215   -2.5851    0.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5698   -1.7338   -1.4663 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6111   -0.8104    0.0538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7881   -2.6747   -0.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9015   -1.7049    0.5240 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7200    0.3893   -0.8348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6689   -0.5590   -2.3223 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7126   -1.8234   -3.0126 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7361   -2.6550   -1.4554 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9296   -2.7209   -2.3915 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9183   -1.8137   -0.8779 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2753   -0.5503   -2.4841 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6299    0.0701   -5.9725 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0818    0.1633   -8.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6398   -1.7317  -12.2000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5070   -3.2701  -11.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1385   -3.4719   -9.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7654   -2.7654   -6.8182 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9175    1.5731   -2.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9611    0.8238   -0.9963 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6714    0.7329   -3.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7087    1.5600   -1.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 20  2  0  0  0  0
 12 13  2  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  2  0  0  0  0
 17 38  1  0  0  0  0
 18 19  1  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END
$$$$

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2025-04-26, 1240👍, 0💬