Molecule FYI-1004226

A

Molecule Summary:

ID: FYI-1004226
Names:
InChIKey: WMPZVTMWEPJVSV-UHFFFAOYSA-N
SMILES: O=C(Cc1ccccc1)Nc5cccc(NC(=O)c3cccc4cc(OC(=O)Cc2ccccc2)ccc34)c5

Received at FYIcenter.com on: 2023-08-23

Molecule ID: FYI-1004226 Edit

Molecule Structure InChIKey: WMPZVTMWEPJVSV-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Cc1ccccc1)Nc5cccc(NC(=O)c3cccc4cc(OC(=O)Cc2ccccc2)ccc34)c5

Download SDF Download SVG Structure in 2D SDF:

FYI-1004226
FYIcenter.com

 39 43  0  0  0  0  0  0  0  0999 V2000
    7.2746   11.3554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   11.3554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   10.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   10.6554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    9.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.1554    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.1554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    5.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.9554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.2554    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.0554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.3554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3733    2.7462    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4737    4.1426    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2237    9.8739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.2554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    8.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.4554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    7.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    8.5554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5150    1.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6008    2.0729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6315    0.6732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8590    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0558    0.7264    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0251    2.1261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7976    2.7993    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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  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  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 22 12  1  0  0  0  0
 22 16  2  0  0  0  0
 23  8  2  0  0  0  0
 23  4  1  0  0  0  0
 19 24  1  0  0  0  0
 24 25  2  0  0  0  0
  2 26  1  0  0  0  0
 28 27  2  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 32 27  1  0  0  0  0
 26 27  1  0  0  0  0
 24 33  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 34 39  1  0  0  0  0
 34 35  2  0  0  0  0
 33 34  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004226-3D
FYIcenter.com

 65 69  0  0  0  0  0  0  0  0999 V2000
    6.6528   -4.4794    4.7702 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8335   -4.7597    4.5724 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6949   -5.2713    5.7135 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5613   -6.7423    6.0333 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6408   -7.4132    6.6095 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5387   -8.7458    7.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3348   -9.4287    6.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2417   -8.7756    6.2683 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3455   -7.4382    5.8803 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5061   -4.6605    3.3583 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9826   -4.1035    2.1663 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8090   -3.3455    2.1645 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2723   -2.8847    0.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9396   -3.1315   -0.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1899   -3.7742   -0.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9612   -3.8787   -1.4541 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7738   -2.9986   -2.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0234   -2.0222   -2.4157 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5114   -3.1094   -3.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9820   -2.2009   -4.7758 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3493   -2.2435   -6.1099 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4794   -2.9416   -6.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2016   -3.5456   -5.4134 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4897   -3.9443   -5.6785 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4962   -5.3008   -5.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5393   -5.5871   -7.2223 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1792   -6.6756   -8.0344 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0413   -7.8029   -7.6137 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0334   -6.1974   -9.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6425   -6.3525  -10.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0408   -5.3119  -10.7976 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7993   -5.4906  -11.4131 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1406   -6.7135  -11.3165 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7236   -7.7561  -10.6024 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9679   -7.5829   -9.9941 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8750   -6.0304   -4.8239 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0344   -5.3137   -3.8963 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5717   -3.9867   -4.2452 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6821   -4.2985    0.9544 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   -4.6923    6.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7430   -5.0292    5.4957 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6051   -6.8901    6.7809 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3848   -9.2502    7.4601 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2465  -10.4657    7.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2991   -9.3021    6.1424 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4645   -6.9468    5.4749 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4022   -5.1246    3.2879 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2816   -3.0894    3.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3400   -2.3255    0.9727 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4504   -2.7863   -1.1276 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7926   -4.4520   -1.4427 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2006   -1.4886   -4.5114 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7964   -1.6943   -6.8625 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8117   -3.0096   -7.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1743   -3.6515   -4.8517 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7451   -6.7515  -10.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3377   -5.1423   -9.5502 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5407   -4.3500  -10.9077 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3470   -4.6819  -11.9819 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1796   -6.8607  -11.8037 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2194   -8.7153  -10.5298 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4081   -8.4223   -9.4614 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9392   -7.1142   -4.8028 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5630   -5.8743   -3.0923 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6229   -4.8407    0.9561 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 10  1  0  0  0  0
  3  4  1  0  0  0  0
  3 40  1  0  0  0  0
  3 41  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 42  1  0  0  0  0
  6  7  1  0  0  0  0
  6 43  1  0  0  0  0
  7  8  2  0  0  0  0
  7 44  1  0  0  0  0
  8  9  1  0  0  0  0
  8 45  1  0  0  0  0
  9 46  1  0  0  0  0
 10 11  1  0  0  0  0
 10 47  1  0  0  0  0
 11 12  1  0  0  0  0
 11 39  2  0  0  0  0
 12 13  2  0  0  0  0
 12 48  1  0  0  0  0
 13 14  1  0  0  0  0
 13 49  1  0  0  0  0
 14 15  2  0  0  0  0
 14 50  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 16 17  1  0  0  0  0
 16 51  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  2  0  0  0  0
 20 21  2  0  0  0  0
 20 52  1  0  0  0  0
 21 22  1  0  0  0  0
 21 53  1  0  0  0  0
 22 23  2  0  0  0  0
 22 54  1  0  0  0  0
 23 24  1  0  0  0  0
 23 38  1  0  0  0  0
 24 25  2  0  0  0  0
 24 55  1  0  0  0  0
 25 26  1  0  0  0  0
 25 36  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 56  1  0  0  0  0
 29 57  1  0  0  0  0
 30 31  1  0  0  0  0
 30 35  2  0  0  0  0
 31 32  2  0  0  0  0
 31 58  1  0  0  0  0
 32 33  1  0  0  0  0
 32 59  1  0  0  0  0
 33 34  2  0  0  0  0
 33 60  1  0  0  0  0
 34 35  1  0  0  0  0
 34 61  1  0  0  0  0
 35 62  1  0  0  0  0
 36 37  2  0  0  0  0
 36 63  1  0  0  0  0
 37 38  1  0  0  0  0
 37 64  1  0  0  0  0
 39 65  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-09-10, 1984👍, 0💬