Molecule FYI-1007834

A

Molecule Summary:

ID: FYI-1007834
Names:
InChIKey: MFANTEOZCLXUPN-UHFFFAOYSA-N
SMILES: Clc4cccc(Nc3nccc(Nc1cc(Cl)ccc1N2CCOCC2)n3)c4

Received at FYIcenter.com on: 2024-03-18

Molecule ID: FYI-1007834 Edit

Molecule Structure InChIKey: MFANTEOZCLXUPN-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4cccc(Nc3nccc(Nc1cc(Cl)ccc1N2CCOCC2)n3)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007834
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    2.4249   13.2999    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   13.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   12.5999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.4999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.1999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.9999    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
    3.6373    6.9999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   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
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.1000    0.0000 N   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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   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
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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
  7  2  1  0  0  0  0
  8  6  1  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
 13 12  1  0  0  0  0
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 14  9  1  0  0  0  0
 15 13  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 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 16  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007834-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
    5.3641    5.1270   -5.3425 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3354    4.8041   -3.6525 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8919    5.7861   -2.7690 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8615    5.5210   -1.4019 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2462    4.2646   -0.9308 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6490    3.2578   -1.8185 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0276    1.9808   -1.3803 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4710    1.2683   -0.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1983    1.4697    0.0479 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7336    0.7292    1.0615 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4904   -0.2115    1.7141 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7958   -0.3564    1.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6412   -1.2007    2.0294 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0529   -1.2334    2.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8867   -0.5573    1.2567 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2671   -0.5411    1.4011 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2428    0.2744    0.2422 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   10.8516   -1.1773    2.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0437   -1.8314    3.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6346   -1.8895    3.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9039   -2.5436    4.2880 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5705   -2.1263    4.7544 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5188   -2.0589    6.2900 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9776   -3.2703    6.9055 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3303   -3.5408    6.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4208   -3.7394    4.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2775    0.3872    0.2798 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7370    3.5556   -3.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5659    6.7538   -3.1379 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5282    6.2822   -0.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2153    4.0711    0.1393 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0268    1.8203   -1.3732 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7079    0.9361    1.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0879   -0.7637    2.5515 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2325   -2.0971    2.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4739   -0.0574    0.3894 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9308   -1.1580    2.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5468   -2.2680    4.2685 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8412   -2.8671    4.4024 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2752   -1.1399    4.3898 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4853   -1.8944    6.6128 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1195   -1.2201    6.6602 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6515   -4.4501    7.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9748   -2.7184    6.8383 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7903   -4.5896    4.6959 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4450   -4.0052    4.7070 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0707    2.7916   -3.8789 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  2  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 20  2  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  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 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 39  1  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
 25 44  1  0  0  0  0
 26 45  1  0  0  0  0
 26 46  1  0  0  0  0
 28 47  1  0  0  0  0
M  END
$$$$

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2024-03-23, 1069👍, 0💬