Molecule FYI-1000456

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Molecule Summary:

ID: FYI-1000456
SMILES: CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO

Received at FYIcenter.com on: 2021-07-12

Molecule ID: FYI-1000456 Edit

Molecule Structure SMILES String: CCN(CCCC(C)NC1=C2C=CC(=CC2=NC=C1)Cl)CCO

Download SDF Download SVG Structure in 2D SDF:

FYI-1000456
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    4.8498    4.9000    0.0000 C   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
    3.6373    2.8000    0.0000 N   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
    6.0622    2.8000    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
    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
    9.6995    2.1000    0.0000 N   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
   12.1243    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3367    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    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
   15.7616    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    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
    0.0000    2.1000    0.0000 O   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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 16 11  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 10  1  0  0  0  0
 20 14  1  0  0  0  0
 21  3  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000456-3D
FYIcenter.com

 49 50  0  0  1  0  0  0  0  0999 V2000
   -0.2988   -0.7023   -0.9952 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1889   -0.3746   -1.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5233    0.7232   -2.0309 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8288    1.9959   -1.7271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2341    2.6864   -0.4080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5028    4.0041   -0.1183 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0313    3.9068   -0.1023 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.5152    2.9392    0.9819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6050    5.2358    0.1420 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9059    5.5760   -0.2787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4730    6.8373    0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7725    7.8610    0.7584 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4152    9.0490    1.1349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7598    9.2156    0.8458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4550    8.2368    0.1436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8341    7.0625   -0.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5871    6.1795   -0.9181 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0253    5.0041   -1.2515 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7279    4.6556   -0.9328 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5832   10.6309    1.3746 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.9889    0.9452   -2.1205 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8137   -0.2588   -2.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3681   -0.7115   -3.8719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4239   -1.7043   -0.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7926   -0.6957   -1.9719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8173   -0.0025   -0.3355 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6587   -1.2936   -1.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5938   -0.1874   -0.1057 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2502    1.8139   -1.7498 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0066    2.6938   -2.5566 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3023    2.9286   -0.4321 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0928    2.0010    0.4347 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8097    4.7486   -0.8650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8567    4.3873    0.8490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3345    3.5545   -1.0910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1702    3.2496    1.9746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1511    1.9252    0.8027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6076    2.8829    1.0195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9514    6.0070    0.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7260    7.7483    1.0163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8637    9.8198    1.6691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5074    8.3708   -0.0855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6697    4.3151   -1.7900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3963    3.6690   -1.2186 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3969    1.2551   -1.1527 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1597    1.7594   -2.8365 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7695   -1.0920   -1.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8651    0.0312   -2.6944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897   -0.6961   -3.8272 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 21  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  6  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  9  1  0  0  0  0
  7 35  1  0  0  0  0
  8 36  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 39  1  0  0  0  0
 10 11  2  0  0  0  0
 10 19  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  1  0  0  0  0
 12 13  2  0  0  0  0
 12 40  1  0  0  0  0
 13 14  1  0  0  0  0
 13 41  1  0  0  0  0
 14 15  2  0  0  0  0
 14 20  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 43  1  0  0  0  0
 19 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 49  1  0  0  0  0
M  END
$$$$

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2021-10-02, 2678👍, 0💬