Molecule FYI-1006083

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A

Molecule Summary:

ID: FYI-1006083
Names:
InChIKey: ZEBIACKKLGVLFZ-TXEJJXNPSA-N
SMILES: CN1CCCC1CC(=O)CC2CCCN2C

Received at FYIcenter.com on: 2023-11-25

Molecule ID: FYI-1006083 Edit

Molecule Structure InChIKey: ZEBIACKKLGVLFZ-TXEJJXNPSA-N

Molecule Structure SMILES String: CN1CCCC1CC(=O)CC2CCCN2C

Download SDF Download SVG Structure in 2D SDF:

FYI-1006083
FYIcenter.com

 40 41  0     1  0  0  0  0  0999 V2000
    5.1043    1.0248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9019    1.4013    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    2.8090   -0.9013    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    7.0064    0.4067    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.6180   -0.3135    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9846    0.1988    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    0.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2633   -0.2624    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5691   -0.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4846    1.0649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    0.6376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8154    1.8080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.3135    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3122    0.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0359    1.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -1.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4276    0.6289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7150   -0.9258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7930   -0.3908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5510   -0.0533    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9155    0.7665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2442    1.2542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9722   -0.8098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7519   -0.6441    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2780   -1.1699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0577   -1.0042    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9862    0.7004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8994    1.5256    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    1.2542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026    0.7665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3170    2.1724    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5054    2.3449    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336   -0.0613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900   -0.8504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3459    2.4382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4990    2.2113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7259    1.3643    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1890   -1.9013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090   -2.5213    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4290   -1.9013    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  1  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  6  0  0  0
  5 18  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 14  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 14  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006083-3D
FYIcenter.com

 40 41  0     1  0  0  0  0  0999 V2000
   -0.0075    0.5915    1.7030 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6512    0.3471   -0.5690 N   0  0  1  0  0  0  0  0  0  0  0  0
    3.6584    0.3545   -0.5527 N   0  0  2  0  0  0  0  0  0  0  0  0
   -2.4294    0.2395    0.2403 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.4289    0.2295    0.2424 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1108   -1.2558    0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1020   -1.2605    0.1230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2782    1.0869   -0.2865 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2879    1.1011   -0.2669 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4435   -1.9392   -0.1127 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4352   -1.9435   -0.1613 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4605   -0.8124   -0.1861 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4585   -0.8205   -0.1978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0015    0.8940    0.5108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3745    1.5956   -0.3594 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3861    1.5923   -0.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6414    0.5017    1.2869 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6330    0.4561    1.2988 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6821   -1.6149    1.1151 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4011   -1.4958   -0.6280 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4053   -1.4694   -0.6980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6535   -1.6460    1.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0874    0.8304   -1.3352 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5198    2.1547   -0.2470 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5360    2.1654   -0.1904 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1065    0.8823   -1.3259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3877   -2.4736   -1.0684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7027   -2.6662    0.6635 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6817   -2.6877    0.6028 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3888   -2.4578   -1.1285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2455   -1.0266   -0.9182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9289   -0.6731    0.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9219   -0.7115    0.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2467   -1.0184   -0.9311 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2987    1.6021   -0.9481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7835    2.4519   -0.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6384    1.7544    0.6924 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3158    1.6110   -0.8798 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6409    1.7190    0.7581 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8029    2.4614   -0.6203 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  2  0  0  0  0
  2  4  1  0  0  0  0
  2 12  1  0  0  0  0
  2 15  1  0  0  0  0
  3  5  1  0  0  0  0
  3 13  1  0  0  0  0
  3 16  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 17  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 18  1  0  0  0  0
  6 10  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7 11  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 14  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 14  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 13  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-01, 1603👍, 0💬