Molecule FYI-1001188

Home > Molecule

A

Molecule Summary:

ID: FYI-1001188
SMILES: C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Received at FYIcenter.com on: 2022-02-28

Molecule ID: FYI-1001188 Edit

Molecule Structure SMILES String: C1CN(CCN1CCOCCO)C(C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1001188
FYIcenter.com

 26 28  0  0  0  0  0  0  0  0999 V2000
    7.2747    4.9000    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    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 O   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
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 O   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 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
   12.1244    2.1000    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
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   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
   15.7616    7.0000    0.0000 Cl  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
  6  1  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13  3  1  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
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 20 13  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 25 20  1  0  0  0  0
 26 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001188-3D
FYIcenter.com

 53 55  0  0  1  0  0  0  0  0999 V2000
    0.7259   -1.1889    0.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7816   -1.1317   -0.2607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4994    0.0529    0.2757 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7423    1.2502   -0.1797 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7725    1.2161    0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4880    0.0131   -0.3280 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7072    0.0175   -1.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6425    1.1387   -2.2675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8262    1.0517   -3.6863 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6167    2.1579   -4.1492 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7759    2.0541   -5.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4973    2.1148   -6.2888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6335    0.0327    1.7657 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3826    1.2578    2.3007 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6933    1.5534    1.8909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3658    2.6648    2.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7339    3.5056    3.3151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4288    3.2369    3.7203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7573    2.1228    3.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2612   -1.2458    2.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8053   -1.7270    3.5868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3353   -2.8945    4.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3301   -3.5906    3.4598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8166   -3.1171    2.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2960   -1.9413    1.6974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9588   -5.0473    4.1252 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.1672   -2.0896   -0.3719 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8490   -1.3235    1.1596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2529   -2.0692    0.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9042   -1.1234   -1.3525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1763    2.1758    0.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8667    1.3360   -1.2673 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9080    1.2691    1.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2434    2.1338   -0.2128 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7675    0.0696   -2.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1713   -0.9334   -2.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6155    1.0508   -1.7717 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2121    2.1184   -2.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5975    2.1368   -3.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0973    3.0896   -3.8966 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2409    1.1046   -5.9418 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3855    2.8789   -6.0393 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9532    1.4472   -5.8285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6212    0.0665    2.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1937    0.9142    1.1688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3829    2.8746    2.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2613    4.3683    3.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9356    3.8964    4.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7372    1.9320    3.5474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0314   -1.1909    4.1331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9665   -3.2527    5.0972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5954   -3.6582    1.7137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6821   -1.5817    0.7453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  5 34  1  0  0  0  0
  6  7  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
 10 11  1  0  0  0  0
 10 39  1  0  0  0  0
 10 40  1  0  0  0  0
 11 12  1  0  0  0  0
 11 41  1  0  0  0  0
 11 42  1  0  0  0  0
 12 43  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 13 44  1  0  0  0  0
 14 15  2  0  0  0  0
 14 19  1  0  0  0  0
 15 16  1  0  0  0  0
 15 45  1  0  0  0  0
 16 17  2  0  0  0  0
 16 46  1  0  0  0  0
 17 18  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  2  0  0  0  0
 18 48  1  0  0  0  0
 19 49  1  0  0  0  0
 20 21  2  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 50  1  0  0  0  0
 22 23  2  0  0  0  0
 22 51  1  0  0  0  0
 23 24  1  0  0  0  0
 23 26  1  0  0  0  0
 24 25  2  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-21, 1149👍, 0💬