Molecule FYI-1002311

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A

Molecule Summary:

ID: FYI-1002311
Names:
InChIKey: UACYWOJLWBDSHG-UHFFFAOYSA-N
SMILES: CN2C(=O)C(Cc1ccccc1)NC2(C)C

Received at FYIcenter.com on: 2023-02-24

Molecule ID: FYI-1002311 Edit

Molecule Structure InChIKey: UACYWOJLWBDSHG-UHFFFAOYSA-N

Molecule Structure SMILES String: CN2C(=O)C(Cc1ccccc1)NC2(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1002311
FYIcenter.com

 16 17  0  0  0  0  0  0  0  0999 V2000
    4.8205    3.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    3.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    1.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    0.9757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    1.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4579    3.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2454    3.7757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6081    3.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.6451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    2.6048    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.7511    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0924    1.3923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4617    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9597    0.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2387    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0380    5.0145    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  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  7  2  2  0  0  0  0
  8  1  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 14 12  1  0  0  0  0
 15 12  1  0  0  0  0
 16  9  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002311-3D
FYIcenter.com

 34 35  0     1  0  0  0  0  0999 V2000
    2.0423   -2.4430   -0.2144 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7407    0.8297   -0.0047 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7885   -0.2198   -0.0599 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1840    1.0732    0.2047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5204   -0.6041    0.2526 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8542   -1.2470   -0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5995   -1.1725   -0.6021 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6634    2.1668   -0.7558 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4076    1.5084    1.6590 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2156   -0.4109   -0.2451 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9228   -0.5158   -0.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7442   -1.0514    0.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2989    0.6144   -1.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9690   -0.4435    0.9531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5236    1.2222   -0.7392 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3586    0.6932    0.2450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3123   -0.7517    1.3197 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5270    1.0169   -0.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6859   -2.2551   -0.4369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3675   -1.0728   -1.6718 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1063    3.0992   -0.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7254    2.3905   -0.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5417    1.8633   -1.8023 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0818    0.7413    2.3712 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4700    1.6939    1.8539 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8624    2.4317    1.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4442   -1.4745   -0.3523 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7475   -0.0144    0.6232 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5339    0.1136   -1.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4488   -1.9351    1.2356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6642    1.0313   -1.7919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6190   -0.8550    1.7198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8283    2.1060   -1.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3124    1.1663    0.4597 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  2  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  6  1  0  0  0  0
  3 10  1  0  0  0  0
  4  8  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  7 11  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 10 29  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 12 14  1  0  0  0  0
 12 30  1  0  0  0  0
 13 15  2  0  0  0  0
 13 31  1  0  0  0  0
 14 16  2  0  0  0  0
 14 32  1  0  0  0  0
 15 16  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-03-17, 1730👍, 0💬