Molecule FYI-1014531

A

Molecule Summary:

ID: FYI-1014531
Names:
InChIKey: AHJPYOURWGXRRH-UHFFFAOYSA-N
SMILES: CC(=O)Nc3ccc2oc1ccc(C)cc1n(C)c(=O)c2c3

Received at FYIcenter.com on: 2025-04-25

Molecule ID: FYI-1014531 Edit

Molecule Structure InChIKey: AHJPYOURWGXRRH-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)Nc3ccc2oc1ccc(C)cc1n(C)c(=O)c2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014531
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    5.3517    3.0238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2246    4.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9131    5.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6517    6.0907    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3903    5.4832    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0788    4.1183    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9517    3.0238    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6517    7.4907    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0076    6.3561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8632    1.7205    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2475    1.5119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1204    2.6064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6090    3.9097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3641    6.4355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    6.0228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7147    4.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7410    3.7057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5048    2.3978    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0163    1.0946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4006    0.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1434    0.0000    0.0000 O   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
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  1  1  0  0  0  0
  4  8  1  0  0  0  0
  3  9  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
  2 13  2  0  0  0  0
  1 10  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
  6 17  2  0  0  0  0
  5 14  2  0  0  0  0
 15 18  1  0  0  0  0
 12 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014531-3D
FYIcenter.com

 38 40  0     0  0  0  0  0  0999 V2000
    0.9480   -0.5778   -1.6279 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0076    3.0967   -0.5035 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2020   -1.6988    0.1668 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8055    1.7076   -0.0376 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0311    0.2906    0.6464 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4220    0.4117    0.0357 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5263    0.8611   -0.3933 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9755   -0.6785   -0.7231 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2593   -0.3428   -1.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4553    1.9641   -0.3445 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5584    0.2074    0.8421 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2030   -1.0331    0.8986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7941    1.0707    0.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6312   -1.9173   -0.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7724    0.0779    0.0833 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2419   -1.3307   -1.1376 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6455    2.8663    0.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7390   -2.0964    0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4973   -1.1214   -0.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3956   -1.2118    1.7769 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327   -0.5754    0.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3143    0.0300    1.3701 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9540    1.0109    1.4592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0222    2.0079    0.6698 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2807   -2.7426   -1.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0315   -2.2636   -1.6538 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6280    2.7642   -0.1903 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7429    2.9477    1.3687 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1983    3.7951   -0.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2355   -3.0623    0.1593 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2040   -1.9315   -0.6826 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2918   -0.8339    1.2749 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2669   -0.6757    2.7233 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5560   -2.2664    2.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1555    1.1910    1.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6000    0.9685    0.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0550    0.2208    2.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1624   -0.6593    1.3342 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2 10  2  0  0  0  0
  3 21  2  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 17  1  0  0  0  0
  5 15  1  0  0  0  0
  5 21  1  0  0  0  0
  5 35  1  0  0  0  0
  6  8  2  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  7 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 16  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 18  1  0  0  0  0
 12 20  1  0  0  0  0
 13 15  2  0  0  0  0
 13 24  1  0  0  0  0
 14 18  2  0  0  0  0
 14 25  1  0  0  0  0
 15 19  1  0  0  0  0
 16 19  2  0  0  0  0
 16 26  1  0  0  0  0
 17 27  1  0  0  0  0
 17 28  1  0  0  0  0
 17 29  1  0  0  0  0
 18 30  1  0  0  0  0
 19 31  1  0  0  0  0
 20 32  1  0  0  0  0
 20 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 22 36  1  0  0  0  0
 22 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END
$$$$

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2025-05-12, 1086👍, 0💬