Molecule FYI-1013760

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A

Molecule Summary:

ID: FYI-1013760
Names:
InChIKey: YJLYLEFICAFJLC-UHFFFAOYSA-N
SMILES: CN2CCC(OC(=O)c1ccc(N)cc1)CC2

Received at FYIcenter.com on: 2025-01-24

Molecule ID: FYI-1013760 Edit

Molecule Structure InChIKey: YJLYLEFICAFJLC-UHFFFAOYSA-N

Molecule Structure SMILES String: CN2CCC(OC(=O)c1ccc(N)cc1)CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013760
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
   10.9119    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    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
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 O   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
    4.8497    4.2000    0.0000 O   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
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   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  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  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 14  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013760-3D
FYIcenter.com

 35 36  0     0  0  0  0  0  0999 V2000
   -0.3856    0.2676   -0.4128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0892   -1.9657   -0.1202 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4790    0.4039    0.4507 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8119    0.8814    0.3013 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7690   -0.0289   -0.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5321    1.2679   -0.8042 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2878   -0.7113    0.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0423    1.0336   -0.8038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8053   -0.8853    0.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9313    0.2294    0.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4355   -0.7973   -0.1995 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8470   -0.3556   -0.0689 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8530   -1.2131   -0.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1096    0.8977    0.4452 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1794   -0.7992   -0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4360    1.3117    0.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4708    0.4633    0.1753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9032   -0.6889   -1.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2181    1.7037   -1.7605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2660    2.0096   -0.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0064   -0.1182    1.5900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8614   -1.7024    0.8753 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5386    2.0042   -0.9242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3194    0.4160   -1.6683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0710   -1.6004   -0.1271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1294   -1.3182    1.6169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4355    1.1962    0.3499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2639   -0.1930    1.4118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2729   -0.4293   -0.3495 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6386   -2.1969   -0.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3229    1.5714    0.7713 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9770   -1.4693   -0.6521 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6504    2.2966    0.9757 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0237    1.7971    0.6745 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5626    0.2673    0.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2 11  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4 17  1  0  0  0  0
  4 34  1  0  0  0  0
  4 35  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 18  1  0  0  0  0
  6  8  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 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  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 30  1  0  0  0  0
 14 16  2  0  0  0  0
 14 31  1  0  0  0  0
 15 17  2  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 16 33  1  0  0  0  0
M  END
$$$$

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2025-02-16, 1132👍, 0💬