Molecule FYI-1005557

A

Molecule Summary:

ID: FYI-1005557
Names:
InChIKey: UGVSVWQIAHHNFC-UHFFFAOYSA-N
SMILES: Cc2cc(=O)oc3cc(Nc1ccccc1)c(CCO)cc23

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

Molecule ID: FYI-1005557 Edit

Molecule Structure InChIKey: UGVSVWQIAHHNFC-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc2cc(=O)oc3cc(Nc1ccccc1)c(CCO)cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1005557
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.9000    0.0000 O   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
    7.2746    2.8000    0.0000 C   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
    3.6373    2.1000    0.0000 C   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    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
    9.6994    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    2.4249    4.2000    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  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 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17  7  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 21  6  1  0  0  0  0
 22 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005557-3D
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
   -0.3335   -3.0144    0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655   -1.5333    0.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8062   -1.0227    0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0912    0.4198    0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2454    0.8311   -0.0090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0003    1.2688   -0.0035 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3123    0.7615    0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3340    1.7041   -0.0633 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6767    1.3011   -0.1464 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6946    2.2843   -0.3053 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5482    3.4445   -1.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1923    4.6442   -0.7874 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0506    5.7801   -1.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2888    5.7278   -2.7586 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6769    4.5299   -3.1271 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8277    3.4014   -2.3257 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9786   -0.0682   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3920   -0.6198   -0.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0812   -0.8350    1.2679 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3849   -1.7716    2.0843 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9152   -1.0012    0.0887 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5720   -0.6026    0.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2760   -3.5721   -0.0035 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2113   -3.3373    0.9150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2361   -3.3037   -0.8675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6877   -1.6539   -0.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0693    2.7579   -0.1091 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0629    2.5391    0.6091 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7944    4.7180    0.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5378    6.7111   -1.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1694    6.6115   -3.3821 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0835    4.4766   -4.0374 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3530    2.4714   -2.6448 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0158    0.0304   -0.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3513   -1.5819   -0.6092 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2075    0.0986    1.8245 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0780   -1.2556    1.0922 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7100   -1.2715    2.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1667   -2.0595    0.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  2  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  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 22  2  0  0  0  0
  8  9  2  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 28  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 29  1  0  0  0  0
 13 14  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 15 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  2  0  0  0  0
 18 19  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 19 20  1  0  0  0  0
 19 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 22  1  0  0  0  0
 21 39  1  0  0  0  0
M  END
$$$$

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2023-11-09, 1662👍, 0💬