Molecule FYI-1006333

A

Molecule Summary:

ID: FYI-1006333
Names:
InChIKey: SEBMTIQKRHYNIT-UHFFFAOYSA-N
SMILES: CN4CC/C(=C\\2c1ccccc1CCc3cccnc23)CC4

Received at FYIcenter.com on: 2023-12-09

Molecule ID: FYI-1006333 Edit

Molecule Structure InChIKey: SEBMTIQKRHYNIT-UHFFFAOYSA-N

Molecule Structure SMILES String: CN4CC/C(=C\2c1ccccc1CCc3cccnc23)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006333
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    8.3705    6.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1581    6.2260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9457    6.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7331    6.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7331    4.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5207    4.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756    6.2795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    7.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3115    6.8192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0262    4.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5148    3.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    1.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5991    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6255    2.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9632    2.3172    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2747    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2485    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9106    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9457    4.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1581    4.8260    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  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
  9  8  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
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
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 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16  6  1  0  0  0  0
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 20 15  1  0  0  0  0
 21  5  1  0  0  0  0
 22 21  1  0  0  0  0
 22  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006333-3D
FYIcenter.com

 44 47  0     0  0  0  0  0  0999 V2000
   -3.9113   -0.9043    0.2485 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0583    2.1755   -1.4507 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2017   -0.3268   -0.5625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2832    0.7085   -0.7085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7081   -1.7432   -0.5321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3934    0.4725    0.3218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8400   -1.8853    0.4917 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0953   -0.0139   -0.4378 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1080   -1.0958   -0.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4043    1.4284   -0.3715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1823   -1.0405    0.6189 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4817    0.0937    1.5828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3691    1.0813    1.9317 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0145    1.9576    0.7647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0023   -1.0913    1.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0205   -2.2071   -1.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1135   -2.1040    0.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2797    3.3295    0.7767 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9465   -3.2490   -1.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9944   -3.1987   -0.2163 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9377    4.1162   -0.3171 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3342    3.4967   -1.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9964    1.7496   -0.5691 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4385   -1.7756    1.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8024   -0.3576    2.5319 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3452    0.6452    1.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7094    1.7079    2.7661 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4742    0.5598    2.2943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6765   -0.9400    2.2401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4207   -2.1002    1.1184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8210   -0.3939    0.9952 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2855   -2.2491   -1.9685 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9549   -2.0769    1.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7548    3.7932    1.6371 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8618   -4.0823   -1.8124 H   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0460    4.0651   -2.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  1 15  1  0  0  0  0
  2 10  1  0  0  0  0
  2 22  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  8  2  0  0  0  0
  4  6  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  7  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  2  0  0  0  0
 10 14  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  1  0  0  0  0
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 12 32  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 18  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 19  1  0  0  0  0
 16 38  1  0  0  0  0
 17 20  1  0  0  0  0
 17 39  1  0  0  0  0
 18 21  2  0  0  0  0
 18 40  1  0  0  0  0
 19 20  2  0  0  0  0
 19 41  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  1  0  0  0  0
 21 43  1  0  0  0  0
 22 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-29, 349👍, 0💬