Molecule FYI-1002547

A

Molecule Summary:

ID: FYI-1002547
Names:
InChIKey: YXPKDVCRXUPCOR-UHFFFAOYSA-N
SMILES: Cc3ccc(C(=O)Nc1ccccc1C(=O)Nc2cccnc2)cc3

Received at FYIcenter.com on: 2023-04-10

Molecule ID: FYI-1002547 Edit

Molecule Structure InChIKey: YXPKDVCRXUPCOR-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc3ccc(C(=O)Nc1ccccc1C(=O)Nc2cccnc2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002547
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    8.4871    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
    7.2747    7.0000    0.0000 C   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
    4.8498    7.0000    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
    6.0622    9.1000    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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
    1.2125    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
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    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
    3.6373    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    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
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    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
  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  5  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  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
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 16 11  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 17  1  0  0  0  0
 20 19  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002547-3D
FYIcenter.com

 42 44  0     0  0  0  0  0  0999 V2000
    2.8345    2.3460   -0.5702 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9350    0.4533    1.8851 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8392    1.2763    0.0462 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3462   -0.0556   -0.3681 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5247   -3.2423    1.0434 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1094    2.3272   -0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4383    2.0855    0.3039 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9296    0.0664   -0.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3285    3.5915   -0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2131    1.3272   -0.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3546    3.1358    0.2482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9164    0.7620    0.6844 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3024   -2.3524    0.0999 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2895    0.0617    0.1937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2561   -1.1382   -0.3185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5878    4.6419   -0.4203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9293    4.4139   -0.1138 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9759   -1.1478    0.3018 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9425   -2.3477   -0.2102 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8780   -1.3669   -0.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0372   -3.6453    0.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2504   -2.0219   -1.4565 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0250   -1.9931    0.9110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7688   -3.3086   -1.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8846   -3.8691   -0.0992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4557    0.3905    0.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3433    3.8567   -0.6171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4029    2.9713    0.4846 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8318    0.9888    0.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080   -1.1848   -0.5993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2583    5.6379   -0.7021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6426    5.2317   -0.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0348   -1.1388    0.5467 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4086   -3.2797   -0.3763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2759    0.3312   -1.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6025   -4.4066   -0.4420 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0862   -3.5308   -0.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9989   -4.0088    1.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1469   -1.5555   -2.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7637   -1.5675    1.8678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0726   -3.8554   -2.2462 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2829   -4.8701    0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 12  2  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  3 26  1  0  0  0  0
  4 12  1  0  0  0  0
  4 20  1  0  0  0  0
  4 35  1  0  0  0  0
  5 23  1  0  0  0  0
  5 25  2  0  0  0  0
  6  7  1  0  0  0  0
  6  9  2  0  0  0  0
  7 11  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  1  0  0  0  0
  8 14  2  0  0  0  0
  8 15  1  0  0  0  0
  9 16  1  0  0  0  0
  9 27  1  0  0  0  0
 11 17  1  0  0  0  0
 11 28  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 13 21  1  0  0  0  0
 14 18  1  0  0  0  0
 14 29  1  0  0  0  0
 15 19  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
 20 22  1  0  0  0  0
 20 23  2  0  0  0  0
 21 36  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 24  2  0  0  0  0
 22 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 25  1  0  0  0  0
 24 41  1  0  0  0  0
 25 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-13, 1946👍, 0💬