Molecule FYI-1006581

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A

Molecule Summary:

ID: FYI-1006581
Names:
InChIKey: SNYNSMPKZPWMLC-UHFFFAOYSA-N
SMILES: CCN(CC)CCCC(C)Nc1cncc2ccc(Cl)cc12

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

Molecule ID: FYI-1006581 Edit

Molecule Structure InChIKey: SNYNSMPKZPWMLC-UHFFFAOYSA-N

Molecule Structure SMILES String: CCN(CC)CCCC(C)Nc1cncc2ccc(Cl)cc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1006581
FYIcenter.com

 22 23  0  0  0  0  0  0  0  0999 V2000
   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
   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
    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 N   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
   12.1244    2.1000    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
   12.1244    6.3000    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  6  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-1006581-3D
FYIcenter.com

 48 49  0  0  1  0  0  0  0  0999 V2000
    4.9022   -2.6494    3.0143 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4697   -2.5841    1.5546 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7765   -3.7815    0.7556 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2422   -5.0331    1.3286 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7217   -5.1683    1.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3664   -3.6105   -0.6499 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0681   -2.4457   -1.3749 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5987   -2.5685   -1.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0990   -3.7900   -2.2706 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6288   -3.6828   -3.7265 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5776   -3.8264   -2.2123 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2583   -5.0647   -2.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7035   -6.1896   -2.9221 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3038   -7.3880   -3.0950 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5707   -7.4786   -2.6538 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2781   -6.4436   -2.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6182   -6.6266   -1.6802 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3376   -5.5903   -1.1024 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7181   -4.3672   -0.8888 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6032   -3.0863   -0.1553 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.3854   -4.1654   -1.2664 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6210   -5.1949   -1.8738 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8698   -1.6435    3.4474 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9288   -3.0173    3.1086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2381   -3.2856    3.6053 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0169   -1.7321    1.1398 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4041   -2.3318    1.4993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6428   -5.1719    2.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6448   -5.8824    0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2350   -4.2724    1.7725 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4441   -6.0034    2.0309 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3108   -5.3773    0.3849 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2828   -3.4465   -0.7141 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5669   -4.5334   -1.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8215   -1.4931   -0.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6353   -2.3494   -2.3752 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0191   -2.5984   -0.4493 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9912   -1.6493   -1.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6957   -4.6929   -1.8006 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1031   -2.8365   -4.2350 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5453   -3.5589   -3.7963 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8593   -4.5762   -4.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9339   -3.2754   -1.4361 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7028   -6.1766   -3.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0199   -8.4586   -2.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1115   -7.5851   -1.8410 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3777   -5.7428   -0.8251 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9456   -3.1910   -1.0768 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  2  3  1  0  0  0  0
  2 26  1  0  0  0  0
  2 27  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 28  1  0  0  0  0
  4 29  1  0  0  0  0
  5 30  1  0  0  0  0
  5 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 37  1  0  0  0  0
  8 38  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 39  1  0  0  0  0
 10 40  1  0  0  0  0
 10 41  1  0  0  0  0
 10 42  1  0  0  0  0
 11 12  1  0  0  0  0
 11 43  1  0  0  0  0
 12 13  1  0  0  0  0
 12 22  2  0  0  0  0
 13 14  2  0  0  0  0
 13 44  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 45  1  0  0  0  0
 16 17  1  0  0  0  0
 16 22  1  0  0  0  0
 17 18  2  0  0  0  0
 17 46  1  0  0  0  0
 18 19  1  0  0  0  0
 18 47  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 48  1  0  0  0  0
M  END
$$$$

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2024-01-15, 1915👍, 0💬