Molecule FYI-1005558

A

Molecule Summary:

ID: FYI-1005558
Names:
InChIKey: RZCSMOVYKIFJKL-UHFFFAOYSA-N
SMILES: Cc3cc(=O)oc4cc(Nc1ccccc1C(=O)c2ccccc2)c(CCO)cc34

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005558 Edit

Molecule Structure InChIKey: RZCSMOVYKIFJKL-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(=O)oc4cc(Nc1ccccc1C(=O)c2ccccc2)c(CCO)cc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1005558
FYIcenter.com

 30 33  0  0  0  0  0  0  0  0999 V2000
    4.8498    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.2999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   13.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   13.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    8.4000    0.0000 O   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  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  2  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  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  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 23  1  0  0  0  0
 25 18  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 16  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005558-3D
FYIcenter.com

 51 54  0  0  0  0  0  0  0  0999 V2000
   -0.3299   -3.0397    0.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5595   -1.5565    0.0486 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7958   -1.0417    0.0126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0734    0.4020    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2253    0.8196   -0.0065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9802    1.2494    0.0097 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3309    0.7343    0.0484 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3588    1.6769    0.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7094    1.2921    0.0746 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7256    2.2764    0.0897 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6588    3.6349    0.5075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8332    3.9864    1.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7236    5.3037    2.0427 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4748    6.3024    1.4397 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3098    5.9873    0.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3769    4.6737   -0.1361 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2332    4.3937   -1.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7459    3.2804   -1.4435 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4913    5.4220   -2.3901 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5358    6.3762   -2.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8239    7.3073   -3.7709 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0575    7.2787   -4.4214 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0057    6.3230   -4.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7237    5.3953   -3.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9971   -0.0896    0.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4045   -0.6650    0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3254   -0.3284    1.2851 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8041   -0.8080    2.5195 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9234   -1.0254    0.1449 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5815   -0.6299    0.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -3.5945   -0.0236 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1977   -3.3714    0.9206 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2520   -3.3252   -0.8614 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5027    2.1006   -0.5559 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0649    5.5388    2.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4160    7.3242    1.8073 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9100    6.7866   -0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5545    6.4081   -2.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0823    8.0520   -4.0567 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.9645    6.2932   -4.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4722    4.6515   -2.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8807   -0.3630   -0.8270 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3310   -1.7608    0.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5373    0.7398    1.3727 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2831   -0.8390    1.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2648   -0.0861    2.8878 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1637   -2.0865    0.1863 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  1 33  1  0  0  0  0
  2  3  2  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 34  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 30  2  0  0  0  0
  8  9  2  0  0  0  0
  8 35  1  0  0  0  0
  9 10  1  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
 12 13  2  0  0  0  0
 12 37  1  0  0  0  0
 13 14  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  2  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  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 24  2  0  0  0  0
 20 21  2  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  2  0  0  0  0
 22 43  1  0  0  0  0
 23 24  1  0  0  0  0
 23 44  1  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 29  2  0  0  0  0
 26 27  1  0  0  0  0
 26 46  1  0  0  0  0
 26 47  1  0  0  0  0
 27 28  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 29 30  1  0  0  0  0
 29 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-09, 2101👍, 0💬