Molecule FYI-1009325

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A

Molecule Summary:

ID: FYI-1009325
Names:
InChIKey: UOZKSUQOJQLYRR-UHFFFAOYSA-N
SMILES: CN3CCN(CC1C=CC=CC1N2CCOCC2)CC3

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009325 Edit

Molecule Structure InChIKey: UOZKSUQOJQLYRR-UHFFFAOYSA-N

Molecule Structure SMILES String: CN3CCN(CC1C=CC=CC1N2CCOCC2)CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009325
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    3.6373   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    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  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  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
 18 13  1  0  0  0  0
 19  5  1  0  0  0  0
 20 19  1  0  0  0  0
 20  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009325-3D
FYIcenter.com

 47 49  0  0  1  0  0  0  0  0999 V2000
    2.9978   -1.3306    1.2637 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8376   -1.0222    0.4379 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7713   -2.0076    0.6443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4162   -1.6712   -0.2709 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0608   -0.3823    0.0283 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7777   -0.3245    1.3211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0981   -1.1610    1.5155 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.0940   -0.8044    0.4228 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4235   -1.6587   -0.5508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8242   -2.9645   -0.6196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1308   -3.4707    0.4084 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8636   -2.7290    1.7125 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.6706   -3.3631    2.8033 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4051   -2.8220    4.1586 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0739   -3.2804    4.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9703   -4.7075    4.8276 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1528   -5.2750    3.5266 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4944   -4.8392    2.9125 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0019    0.6509   -0.0772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3220    0.3388    0.6854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3365   -2.3584    1.0822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7887   -1.2266    2.3344 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8357   -0.6755    1.0054 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4619   -2.0445    1.6974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1282   -3.0108    0.3870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1162   -2.4927   -0.2544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0710   -1.6521   -1.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0873    0.7256    1.4527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1057   -0.5243    2.1631 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5447   -0.7651    2.4355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5228    0.1948    0.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1078   -1.3666   -1.3423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9306   -3.5188   -1.5462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6586   -4.4398    0.2775 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8063   -2.8660    1.9622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2191   -3.1801    4.8045 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4713   -1.7329    4.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0158   -2.9215    5.8159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2128   -2.8731    4.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1414   -6.3643    3.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3013   -5.0059    2.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3006   -5.2110    3.5578 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6512   -5.3531    1.9593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3802    1.6328    0.2256 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2458    0.7551   -1.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1499    0.4909    1.7577 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0789    1.0659    0.3668 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  1  0  0  0  0
  3  4  1  0  0  0  0
  3 24  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  2  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  2  0  0  0  0
 10 33  1  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 17 41  1  0  0  0  0
 18 42  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  1  0  0  0  0
 19 44  1  0  0  0  0
 19 45  1  0  0  0  0
 20 46  1  0  0  0  0
 20 47  1  0  0  0  0
M  END
$$$$

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2024-05-15, 174👍, 0💬