Molecule FYI-1002432

A

Molecule Summary:

ID: FYI-1002432
Names:
InChIKey: QLGUCSLWLPCOTR-RYUDHWBXSA-N
SMILES: CN2CCN4c1c(cccc12)[C@@H]3CNCC[C@@H]34

Received at FYIcenter.com on: 2023-03-21

Molecule ID: FYI-1002432 Edit

Molecule Structure InChIKey: QLGUCSLWLPCOTR-RYUDHWBXSA-N

Molecule Structure SMILES String: CN2CCN4c1c(cccc12)[C@@H]3CNCC[C@@H]34

Download SDF Download SVG Structure in 2D SDF:

FYI-1002432
FYIcenter.com

 17 20  0  0  1  0  0  0  0  0999 V2000
    6.8708    5.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6623    4.7331    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4538    5.4309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451    4.7331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2451    3.3376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2081    2.4039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8203    2.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5676    0.1458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9555    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7757    1.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1636    1.2749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4538    2.6399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6623    3.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7873    2.4382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6415    1.0504    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3667    0.4827    0.0000 C   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  6  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  6  0  0  0
 11  6  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  5  1  0  0  0  0
 14 13  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002432-3D
FYIcenter.com

 36 39  0     1  0  0  0  0  0999 V2000
   -0.2567    1.0067    0.2386 N   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6811   -0.3453   -0.8003 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5684    1.0424   -0.2016 N   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4832    0.5770    0.9223 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6653   -0.9312    0.5427 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2307   -1.3226    0.3313 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5254   -0.1619    0.1480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6938    1.4410    0.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4655   -1.1535   -0.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4983    2.2037    0.5513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3378    1.0762   -0.7537 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8998   -0.1695   -0.0825 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7529    2.2592   -0.3354 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3623   -2.5652    0.2716 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4965   -1.4368   -0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7385   -2.6157    0.0379 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9721    1.0957   -0.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3017    0.6482    2.0056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1189   -1.4686    1.3835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4326    2.5051    0.5828 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4450    1.3045    1.3691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8583   -0.9468   -1.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7412   -2.2130   -0.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7872    2.2013    1.6102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1143    3.0940    0.3759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2558    1.6622   -0.8749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6788    1.3437   -1.5888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1730   -0.5408   -1.6719 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4624    2.3767   -1.3873 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3417    3.1409   -0.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2133   -3.4746    0.4005 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5650   -1.5448   -0.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2385   -3.5800   -0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3423    2.1267   -0.5671 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1266    0.6899   -1.5746 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5878    0.5365    0.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  2 28  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5  9  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
  7 12  1  0  0  0  0
  8 11  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
  9 22  1  0  0  0  0
  9 23  1  0  0  0  0
 10 13  1  0  0  0  0
 10 24  1  0  0  0  0
 10 25  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 15  2  0  0  0  0
 13 29  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 16  1  0  0  0  0
 15 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 34  1  0  0  0  0
 17 35  1  0  0  0  0
 17 36  1  0  0  0  0
M  END
$$$$

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2023-04-05, 514👍, 0💬