Molecule FYI-1013689

A

Molecule Summary:

ID: FYI-1013689
Names:
InChIKey: RCFIEVLDJLFLGX-UHFFFAOYSA-N
SMILES: CC(=O)c4ccc(N(Cc1ccc(C)cc1)c2ccnc3cc(Cl)ccc23)cc4

Received at FYIcenter.com on: 2025-01-21

Molecule ID: FYI-1013689 Edit

Molecule Structure InChIKey: RCFIEVLDJLFLGX-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)c4ccc(N(Cc1ccc(C)cc1)c2ccnc3cc(Cl)ccc23)cc4

Download SDF Download SVG Structure in 2D SDF:

FYI-1013689
FYIcenter.com

 29 32  0  0  0  0  0  0  0  0999 V2000
    7.2747   12.6000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    9.1000    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
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    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
    6.0623    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   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
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 O   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
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    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  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  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  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 16  1  0  0  0  0
 19 18  2  0  0  0  0
 19 13  1  0  0  0  0
 20 11  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  1  0  0  0  0
 26 24  2  0  0  0  0
 27 23  1  0  0  0  0
 28 27  2  0  0  0  0
 28 20  1  0  0  0  0
 29  6  2  0  0  0  0
 29  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013689-3D
FYIcenter.com

 50 53  0  0  0  0  0  0  0  0999 V2000
    1.3701    0.4783    1.2687 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1473    0.1475    0.0254 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2509   -1.0190   -0.3544 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7861    1.2460   -0.7675 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8370    2.5884   -0.3823 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5113    3.5467   -1.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1146    3.2120   -2.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270    4.1590   -3.2102 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8664    3.5901   -4.1342 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2910    3.4049   -3.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6447    3.2490   -2.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9547    2.8777   -1.9024 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9359    2.6474   -2.8761 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2962    2.1123   -2.5295 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6082    2.8719   -4.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3088    3.2439   -4.5705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6409    5.5897   -3.3862 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7689    6.3607   -3.7467 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6598    7.7141   -3.9907 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5272    8.4004   -3.8265 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4422    7.7291   -3.4396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3305    8.5243   -3.2209 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1185    7.9732   -2.8371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2108    9.0063   -2.4834 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.9887    6.6002   -2.7459 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1033    5.7799   -2.9783 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3956    6.3117   -3.2492 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9962    1.8558   -2.7818 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3696    0.8931   -1.9779 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0562   -0.4565    1.7499 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4727    1.0436    1.0078 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9920    1.0266    1.9789 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3776    2.9234    0.5441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5581    4.5726   -0.8231 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9061    4.1934   -5.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5835    2.6160   -4.5344 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9056    3.3784   -1.4731 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1952    2.7314   -0.8494 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4155    1.9745   -1.4501 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0815    2.7923   -2.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4414    1.1337   -3.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3519    2.7171   -4.9932 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0822    3.3659   -5.6287 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7594    5.9375   -3.8512 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5148    8.2950   -4.3238 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4233    9.6013   -3.3406 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0282    6.1577   -2.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9469    4.7061   -2.9401 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3669    1.4667   -3.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3477   -0.1402   -2.3203 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  1 32  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  2  0  0  0  0
  5  6  2  0  0  0  0
  5 33  1  0  0  0  0
  6  7  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  2  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  9 10  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 11  1  0  0  0  0
 10 16  2  0  0  0  0
 11 12  2  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 38  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 39  1  0  0  0  0
 14 40  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 27  2  0  0  0  0
 18 19  2  0  0  0  0
 18 44  1  0  0  0  0
 19 20  1  0  0  0  0
 19 45  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
 22 23  2  0  0  0  0
 22 46  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 47  1  0  0  0  0
 26 27  1  0  0  0  0
 26 48  1  0  0  0  0
 28 29  1  0  0  0  0
 28 49  1  0  0  0  0
 29 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 739👍, 0💬