Molecule FYI-1007807

A

Molecule Summary:

ID: FYI-1007807
Names:
InChIKey: ADQRIAXOOPLEHZ-UHFFFAOYSA-N
SMILES: Clc4cccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2)n3)c4Cl

Received at FYIcenter.com on: 2024-03-17

Molecule ID: FYI-1007807 Edit

Molecule Structure InChIKey: ADQRIAXOOPLEHZ-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4cccc(Nc3nccc(Nc2ccc(N1CCOCC1)cc2)n3)c4Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1007807
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  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  8  2  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
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 18  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 26 21  1  0  0  0  0
 27  6  2  0  0  0  0
 27  2  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007807-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
   -4.3045   -9.7884    4.8774 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.7921   -8.7042    3.6188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5798   -9.2329    2.5938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0142   -8.4093    1.5642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6532   -7.0610    1.5507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8259   -6.5051    2.5413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4174   -5.1507    2.5134 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3083   -4.2707    1.4350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4091   -3.2860    1.5552 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2173   -2.5086    0.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8862   -2.6753   -0.7157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8308   -3.6736   -0.7383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5923   -3.8852   -1.9114 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8129   -4.5963   -1.9560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7976   -4.4130   -0.9803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0147   -5.1078   -1.0289 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2970   -6.0195   -2.0493 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4810   -6.7244   -2.1093 N   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7509   -6.2362   -1.5491 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2553   -7.1684   -0.4368 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3247   -8.5353   -0.8782 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0249   -8.9848   -1.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4852   -8.1516   -2.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3107   -6.1766   -3.0366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0954   -5.4728   -3.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0340   -4.4568    0.3298 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4237   -7.3476    3.6038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4350   -6.6821    4.8725 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -5.8576  -10.2828    2.5922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6349   -8.8045    0.7629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0385   -6.4576    0.7338 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7202   -4.9043    3.2066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4806   -1.7201    0.5954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7032   -2.0339   -1.5656 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9775   -4.1135   -2.6842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6249   -3.7223   -0.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7207   -4.9352   -0.2231 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4856   -6.2355   -2.3645 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6948   -5.2055   -1.1830 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.2654   -6.8716   -0.1359 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6133   -7.1139    0.4498 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1165  -10.0332   -1.5941 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3439   -8.9425   -0.4342 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1364   -8.2813   -3.3398 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4918   -8.5302   -2.7309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4921   -6.8364   -3.8810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3758   -5.6377   -3.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  2  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 32  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  2  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 11 12  2  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  1  0  0  0  0
 14 25  2  0  0  0  0
 15 16  2  0  0  0  0
 15 36  1  0  0  0  0
 16 17  1  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 24  2  0  0  0  0
 18 19  1  0  0  0  0
 18 23  1  0  0  0  0
 19 20  1  0  0  0  0
 19 38  1  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
 23 45  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 25 47  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$

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