Molecule FYI-1007906

A

Molecule Summary:

ID: FYI-1007906
Names:
InChIKey: MHZXCQPSCYLITQ-UHFFFAOYSA-N
SMILES: Clc1ccccc1Nc4nccc(Nc3ccc(CN2CCOCC2)cc3Cl)n4

Received at FYIcenter.com on: 2024-03-20

Molecule ID: FYI-1007906 Edit

Molecule Structure InChIKey: MHZXCQPSCYLITQ-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc1ccccc1Nc4nccc(Nc3ccc(CN2CCOCC2)cc3Cl)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007906
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    3.6373    8.4000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    7.0000    0.0000 N   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
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    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
  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  2  0  0  0  0
  7  2  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  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
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 21 16  1  0  0  0  0
 22 21  1  0  0  0  0
 23 19  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
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 29 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007906-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
   -2.6621   -7.3211   -0.9850 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.5722   -8.3753   -2.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2983   -9.7445   -1.9017 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0719  -10.6790   -2.5877 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1398  -10.2498   -3.3680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4027   -8.8842   -3.4974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5921   -7.9199   -2.8718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9426   -6.5721   -3.0787 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0812   -5.4838   -3.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8322   -5.6507   -3.6884 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0587   -4.5540   -3.7533 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4996   -3.2970   -3.4276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8179   -3.2004   -3.0469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3702   -1.9199   -2.7942 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7678   -1.6775   -2.7388 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6151   -2.2355   -3.7083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0035   -2.1166   -3.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5857   -1.4199   -2.5535 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0881   -1.3374   -2.4102 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7720   -2.3488   -1.6045 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3174   -2.5364   -0.2223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2670   -3.6467   -0.0299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.6756   -4.8820   -0.6320 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9510   -4.7020   -2.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0368   -3.6401   -2.2469 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7401   -0.7611   -1.6444 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3483   -0.8796   -1.7432 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3636   -0.0483   -0.5910 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -4.6007   -4.2926   -2.9284 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4869  -10.0871   -1.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8523  -11.7393   -2.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7648  -10.9737   -3.8846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2350   -8.5640   -4.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7227   -6.2584   -2.5138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0447   -4.7289   -4.0983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8580   -2.4319   -3.5183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8864   -1.4883   -2.0095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1886   -2.7981   -4.5370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6204   -2.5893   -4.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.5345   -1.3081   -3.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3318   -0.3527   -1.9904 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2045   -2.8283    0.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9748   -1.5963    0.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1434   -3.8409    1.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2868   -3.3629   -0.4235 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3043   -5.6644   -2.4110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0240   -4.4629   -2.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9618   -4.0239   -1.7939 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2563   -3.5250   -3.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1704   -0.1615   -0.8456 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  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  5  6  2  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
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  2  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  2  0  0  0  0
 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 26  2  0  0  0  0
 19 20  1  0  0  0  0
 19 40  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 20 25  1  0  0  0  0
 21 22  1  0  0  0  0
 21 42  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 46  1  0  0  0  0
 24 47  1  0  0  0  0
 25 48  1  0  0  0  0
 25 49  1  0  0  0  0
 26 27  1  0  0  0  0
 26 50  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-14, 142👍, 0💬