Molecule FYI-1005854

A

Molecule Summary:

ID: FYI-1005854
Names:
InChIKey: YDZNLPDTUAQMEU-UHFFFAOYSA-N
SMILES: Cn3c(=O)c1ccccc1n(CC(=O)NC2CCCCC2)c3=O

Received at FYIcenter.com on: 2023-11-17

Molecule ID: FYI-1005854 Edit

Molecule Structure InChIKey: YDZNLPDTUAQMEU-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn3c(=O)c1ccccc1n(CC(=O)NC2CCCCC2)c3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005854
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    1.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 N   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
    4.8499    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    1.4000    0.0000 O   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  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  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 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 21 16  1  0  0  0  0
 22 11  1  0  0  0  0
 22  2  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005854-3D
FYIcenter.com

 44 46  0     0  0  0  0  0  0999 V2000
   -0.8105    1.6438   -1.1133 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7140    2.8962    0.5466 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8179   -0.2990   -0.7833 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4583    0.8090    0.2973 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1194    0.6611    0.6337 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2897    1.3246   -0.1046 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5783    0.9350   -0.6159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7070   -0.3315   -1.4682 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8648    1.2200    0.1654 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2008   -1.5363   -0.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3545    0.0097    0.9608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4954   -1.2257    0.0774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1619    1.1770   -0.0327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2166    0.9854    1.1340 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4626   -0.7078    0.4293 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0177    1.7105    0.3724 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7284   -1.0451   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7106    0.0096   -0.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5580   -1.7508    0.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0867   -2.3862   -0.2612 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2528    2.3908   -0.3677 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9130   -3.0864    0.4896 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1774   -3.4042    0.0105 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3711    1.7842   -1.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7478   -0.5788   -1.9390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4172   -0.1381   -2.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6501    1.5158   -0.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7173    2.0665    0.8471 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4305   -1.8448    0.0502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3606   -2.3842   -1.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3234    0.2434    1.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6657   -0.2052    1.7860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3029   -1.0652   -0.6475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7842   -2.0867    0.6906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6284    0.3885    1.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5668    0.2664    1.8782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1810    1.9483    1.6592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4522   -1.5751    1.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0705   -2.6568   -0.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8626    3.0162   -1.1772 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2382    2.0117   -0.6479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3482    3.0121    0.5286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1968   -3.8759    0.6985 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4547   -4.4413   -0.1528 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 16  2  0  0  0  0
  3 18  2  0  0  0  0
  4  7  1  0  0  0  0
  4 13  1  0  0  0  0
  4 35  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6 16  1  0  0  0  0
  6 18  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  9 11  1  0  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 10 12  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 12  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 14 36  1  0  0  0  0
 14 37  1  0  0  0  0
 15 17  1  0  0  0  0
 15 19  2  0  0  0  0
 17 18  1  0  0  0  0
 17 20  2  0  0  0  0
 19 22  1  0  0  0  0
 19 38  1  0  0  0  0
 20 23  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
 22 23  2  0  0  0  0
 22 43  1  0  0  0  0
 23 44  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-25, 2588👍, 0💬