Molecule FYI-1006579

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A

Molecule Summary:

ID: FYI-1006579
Names:
InChIKey: OSABEOFBNZMBDI-UHFFFAOYSA-N
SMILES: CCN(CC)CCCC(C)Nc2ccc1ccc(Cl)cc1n2

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

Molecule ID: FYI-1006579 Edit

Molecule Structure InChIKey: OSABEOFBNZMBDI-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN(CC)CCCC(C)Nc2ccc1ccc(Cl)cc1n2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006579
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
   13.3368    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5493    2.1000    0.0000 C   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
   12.1244    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 N   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
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    2.8000    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 13  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 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 12  1  0  0  0  0
 22  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006579-3D
FYIcenter.com

 48 49  0     1  0  0  0  0  0999 V2000
   -3.5181    3.5743   -1.2405 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.4043    1.2491    0.2584 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1701   -2.7926   -0.0477 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0620   -0.7823   -0.3849 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1947   -1.4178   -0.0988 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3504   -0.8821   -0.9529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2744   -2.3649   -0.8810 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2066    0.1060   -0.1615 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8499    1.9443   -0.9045 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2038    2.1708    1.0673 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0360   -3.5998   -1.3515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9544   -2.0218    0.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9577    3.0985   -0.4804 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7895    1.4693    2.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9580   -2.5395    1.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1609   -0.0396   -0.1534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2125   -0.5015    0.6657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0890   -1.7718    1.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2844    1.2224   -0.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3453    0.3004    0.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4105    2.0199   -0.5095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4423    1.5586    0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5970   -1.9332    0.7837 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5949   -0.5848    0.2850 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9987   -0.4856   -1.9098 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0105   -1.7172   -1.2193 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8897   -1.8564   -1.7744 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0622    0.4187   -0.7740 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6043   -0.4509    0.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6352    2.3090   -1.5785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1936    1.2913   -1.4859 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5778    2.9761    1.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0105    2.6334    0.4849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5386   -4.1039   -0.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3509   -4.3255   -1.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7865   -3.3515   -2.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3521   -3.5427    0.6119 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2396    2.7949    0.2894 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5286    3.9583   -0.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3797    3.4515   -1.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0383    0.8718    2.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6413    0.8312    2.0264 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1651    2.2171    2.9889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8681   -3.5238    1.4573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8744   -2.1700    1.8826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4801    1.5939   -1.3624 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1587   -0.0513    1.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3257    2.1648    0.4800 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 21  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  3 37  1  0  0  0  0
  4 12  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 23  1  0  0  0  0
  5 24  1  0  0  0  0
  6  8  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7 11  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 13  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 14  1  0  0  0  0
 10 32  1  0  0  0  0
 10 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 11 36  1  0  0  0  0
 12 15  1  0  0  0  0
 13 38  1  0  0  0  0
 13 39  1  0  0  0  0
 13 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 18  2  0  0  0  0
 15 44  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 45  1  0  0  0  0
 19 21  2  0  0  0  0
 19 46  1  0  0  0  0
 20 22  2  0  0  0  0
 20 47  1  0  0  0  0
 21 22  1  0  0  0  0
 22 48  1  0  0  0  0
M  END
$$$$

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2024-01-15, 2929👍, 0💬