Molecule FYI-1009221

A

Molecule Summary:

ID: FYI-1009221
Names:
InChIKey: RVLUXQUVOLCSRA-UHFFFAOYSA-N
SMILES: Cc2cc(=O)oc3cc(NC(=O)CN1CCCC(C)C1)ccc23

Received at FYIcenter.com on: 2024-05-04

Molecule ID: FYI-1009221 Edit

Molecule Structure InChIKey: RVLUXQUVOLCSRA-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(=O)oc3cc(NC(=O)CN1CCCC(C)C1)ccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1009221
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    9.6996    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6000    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
    1.2125    3.5000    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    4.2000    0.0000 C   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  2  0  0  0  0
  5  4  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  2  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
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 12  2  1  0  0  0  0
 13  9  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  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  1  0  0  0  0
 23 21  1  0  0  0  0
 23 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009221-3D
FYIcenter.com

 45 47  0  0  1  0  0  0  0  0999 V2000
    0.1476   -3.2554   -0.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2053   -1.7980   -0.8517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4636   -1.4015   -1.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8787    0.0116   -1.1438 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0501    0.3103   -1.3545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8951    0.9514   -0.9471 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4426    0.5692   -0.7130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3518    1.6145   -0.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7021    1.3469   -0.3842 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6688    2.3719   -0.3370 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5194    3.6559   -0.8485 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5184    4.0990   -1.4110 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7290    4.5698   -0.6312 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9537    3.8056   -0.3523 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5449    3.1741   -1.5426 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6319    2.1991   -1.0731 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6544    2.8539   -0.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9640    3.7020    0.9457 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.9546    4.4607    1.8200 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9664    4.6570    0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1037    0.0155   -0.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1739   -1.0357   -0.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8181   -0.7702   -0.6347 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8961   -3.4858   -1.5974 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.9754    2.6306   -0.6508 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6159    2.1479   -0.0484 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4609    5.1793    0.2434 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8489    5.2366   -1.4918 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9624    3.9185   -2.2334 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7945    2.6065   -2.1049 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1462    1.7689   -1.9399 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1513    1.3647   -0.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3316    3.4823   -0.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2667    2.0759    0.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4034    3.0269    1.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5797    5.1395    1.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6051    3.7628    2.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4206    5.0559    2.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1477   -0.2338   -0.0522 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5344   -2.0580   -0.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  2  0  0  0  0
  2 23  1  0  0  0  0
  3  4  1  0  0  0  0
  3 27  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
  7  8  1  0  0  0  0
  7 23  2  0  0  0  0
  8  9  2  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 34  1  0  0  0  0
 16 35  1  0  0  0  0
 17 18  1  0  0  0  0
 17 36  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 22  2  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
M  END
$$$$

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2024-05-16, 1908👍, 0💬