Molecule FYI-1006582

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A

Molecule Summary:

ID: FYI-1006582
Names:
InChIKey: KREJOXYCRKVVIR-UHFFFAOYSA-N
SMILES: CCN(CC)CCCCC(C)Nc2cc1cc(Cl)ccc1cn2

Received at FYIcenter.com on: 2024-01-03

Molecule ID: FYI-1006582 Edit

Molecule Structure InChIKey: KREJOXYCRKVVIR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN(CC)CCCCC(C)Nc2cc1cc(Cl)ccc1cn2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006582
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   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
   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 N   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
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 N   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
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   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
    4.8498    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
    2.4249    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
    3.6373    0.0000    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
   13.3368    8.4000    0.0000 Cl  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
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 10  1  1  0  0  0  0
 10  5  1  0  0  0  0
 11  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  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 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006582-3D
FYIcenter.com

 51 52  0  0  1  0  0  0  0  0999 V2000
    4.6295   -0.4303    3.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2348    0.6113    2.6473 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6081    0.2831    1.2620 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1339   -1.0315    0.8005 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6231   -1.1824    0.6457 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2258    1.3554    0.3235 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8700    2.7209    0.6138 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3964    2.6562    0.5778 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0225    4.0089    0.9167 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5643    3.9771    0.8997 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.1042    3.6699   -0.5001 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0202    5.2966    1.3526 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2810    5.3833    1.9513 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6827    6.6230    2.4561 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9208    6.7578    3.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3615    7.9839    3.6313 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6059    8.0749    4.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1354    9.5814    4.8975 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.4249    6.9530    4.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9930    5.7251    3.8586 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7404    5.6227    3.2279 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2476    4.4271    2.7069 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0532    4.2902    2.0888 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5383    0.0031    4.6905 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6687   -0.7502    3.5599 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9790   -1.3086    3.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7579    1.5252    2.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1619    0.8197    2.7295 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5070   -1.8158    1.4689 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6044   -1.2574   -0.1661 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0755   -0.7773    1.5010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3607   -2.2418    0.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2692   -0.6797   -0.2603 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1373    1.4877    0.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5239    1.0636   -0.6926 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5255    3.1177    1.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5227    3.4355   -0.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6973    2.3338   -0.4238 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7676    1.9072    1.2866 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6867    4.3129    1.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6536    4.7754    0.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8844    3.1923    1.5968 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7629    4.4128   -1.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7797    2.6839   -0.8472 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1979    3.6658   -0.5157 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9095    6.0189    0.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0164    7.4745    2.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7335    8.8699    3.5599 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3967    7.0253    4.8513 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6363    4.8551    3.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8210    3.5064    2.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  7  8  1  0  0  0  0
  7 36  1  0  0  0  0
  7 37  1  0  0  0  0
  8  9  1  0  0  0  0
  8 38  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 42  1  0  0  0  0
 11 43  1  0  0  0  0
 11 44  1  0  0  0  0
 11 45  1  0  0  0  0
 12 13  1  0  0  0  0
 12 46  1  0  0  0  0
 13 14  1  0  0  0  0
 13 23  2  0  0  0  0
 14 15  2  0  0  0  0
 14 47  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  1  0  0  0  0
 16 17  2  0  0  0  0
 16 48  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 49  1  0  0  0  0
 20 21  1  0  0  0  0
 20 50  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 51  1  0  0  0  0
M  END
$$$$

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2024-01-15, 2598👍, 0💬