Molecule FYI-1009227

A

Molecule Summary:

ID: FYI-1009227
Names:
InChIKey: ZQPZHHDFMDFIIF-UHFFFAOYSA-N
SMILES: Cc3cc(=O)oc4cc(NC(=O)CN2CCc1ccccc1C2)ccc34

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

Molecule ID: FYI-1009227 Edit

Molecule Structure InChIKey: ZQPZHHDFMDFIIF-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3cc(=O)oc4cc(NC(=O)CN2CCc1ccccc1C2)ccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1009227
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
   14.5492    4.9000    0.0000 O   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
   12.1244    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   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
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   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
    1.2124    4.2000    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
    0.0000    2.1000    0.0000 C   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
    1.2124    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
    3.6373    2.8000    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  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  2  0  0  0  0
 12  2  1  0  0  0  0
 13  6  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  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 25  1  0  0  0  0
 26 17  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009227-3D
FYIcenter.com

 46 49  0  0  0  0  0  0  0  0999 V2000
    0.1229   -3.2382    0.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2093   -1.7768    0.9451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4602   -1.3492    1.1762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8523    0.0674    1.1677 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0119    0.3986    1.3879 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8576    0.9838    0.8957 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4702    0.5697    0.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3909    1.5947    0.4667 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7355    1.2980    0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7135    2.3027    0.0713 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5540    3.6402    0.4072 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5894    4.1151    1.0077 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6933    4.5602   -0.0219 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5646    5.0080   -1.4241 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5954    6.0319   -1.7281 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0886    7.4279   -2.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0604    7.2668   -3.2259 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0231    8.0661   -4.3688 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0629    7.8188   -5.3495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1315    6.7923   -5.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1507    6.0092   -4.0228 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1225    6.2369   -3.0458 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1896    5.4516   -1.7539 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1208   -0.0467    0.2126 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1807   -1.0734    0.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8341   -0.7750    0.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.8581   -3.4604    1.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5191   -3.5618   -0.0013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2741   -2.0335    1.3869 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0193    2.6131    0.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6255    2.0165   -0.2598 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6424    4.0294    0.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6934    5.4147    0.6679 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1842    5.6278   -2.5622 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3070    6.1530   -0.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9315    8.0342   -2.4921 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6365    7.9460   -1.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7450    8.8656   -4.5104 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0423    8.4238   -6.2521 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3874    6.6035   -5.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4128    5.2214   -3.8952 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5459    4.5690   -1.8491 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7727    6.0863   -0.9598 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1592   -0.3215    0.0421 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5309   -2.1030    0.4211 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  2  0  0  0  0
  2 26  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  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 26  2  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 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 32  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 33  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 22  2  0  0  0  0
 18 19  2  0  0  0  0
 18 39  1  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  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  1  0  0  0  0
 23 43  1  0  0  0  0
 23 44  1  0  0  0  0
 24 25  2  0  0  0  0
 24 45  1  0  0  0  0
 25 26  1  0  0  0  0
 25 46  1  0  0  0  0
M  END
$$$$

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2024-05-16, 1198👍, 0💬