Molecule FYI-1006168

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A

Molecule Summary:

ID: FYI-1006168
Names:
InChIKey: WMPRXNBYEWYMSL-UHFFFAOYSA-N
SMILES: O=C(CC(Nc1ccccc1)c2ccccc2)c3ccccc3

Received at FYIcenter.com on: 2023-11-29

Molecule ID: FYI-1006168 Edit

Molecule Structure InChIKey: WMPRXNBYEWYMSL-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CC(Nc1ccccc1)c2ccccc2)c3ccccc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006168
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    7.2747    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   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
    1.2125    4.9000    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
    0.0000    2.8000    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    2.8000    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
    6.0622    2.1000    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  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  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  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  2  0  0  0  0
 17 12  1  0  0  0  0
 18 10  1  0  0  0  0
 19 18  2  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
 23 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006168-3D
FYIcenter.com

 42 44  0     1  0  0  0  0  0999 V2000
    1.6312    1.0140   -1.6502 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7045    0.6151    0.3950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5113   -0.5135   -0.4963 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9607   -0.9580   -0.4263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4992   -1.6068   -0.1395 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9707    0.1290   -0.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7287    1.5316    0.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9846   -2.4281   -1.1404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8912   -1.7555    1.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3215    0.1021   -0.3037 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8939   -3.4337   -0.8122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8004   -2.7612    1.5064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8688    2.6087    1.1511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6645    1.4184   -0.7948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3017   -3.6002    0.5112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9132   -1.1145    0.0359 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0255    1.2932   -0.1270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9022    3.5346    1.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6979    2.3441   -0.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8167    3.4023   -0.0375 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2088   -1.1401    0.5521 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3211    1.2677    0.3891 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9127    0.0510    0.7288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6785   -0.1963   -1.5339 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1893   -1.2745    0.5997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1195   -1.8203   -1.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0903    0.7141    1.1963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6711   -2.3064   -2.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5029   -1.1369    1.9813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2837   -4.0875   -1.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1140   -2.8948    2.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1645    2.7274    1.9717 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6270    0.6189   -1.5276 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0084   -4.3841    0.7671 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3952   -2.0591   -0.1036 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5796    2.2513   -0.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9948    4.3584    1.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4106    2.2418   -1.7518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6214    4.1231   -0.1494 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6709   -2.0876    0.8136 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8691    2.1952    0.5277 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9217    0.0310    1.1302 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  2  7  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 24  1  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  8  2  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  7 13  2  0  0  0  0
  7 14  1  0  0  0  0
  8 11  1  0  0  0  0
  8 28  1  0  0  0  0
  9 12  2  0  0  0  0
  9 29  1  0  0  0  0
 10 16  2  0  0  0  0
 10 17  1  0  0  0  0
 11 15  2  0  0  0  0
 11 30  1  0  0  0  0
 12 15  1  0  0  0  0
 12 31  1  0  0  0  0
 13 18  1  0  0  0  0
 13 32  1  0  0  0  0
 14 19  2  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 16 21  1  0  0  0  0
 16 35  1  0  0  0  0
 17 22  2  0  0  0  0
 17 36  1  0  0  0  0
 18 20  2  0  0  0  0
 18 37  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 23  2  0  0  0  0
 21 40  1  0  0  0  0
 22 23  1  0  0  0  0
 22 41  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-08, 1281👍, 0💬