Molecule FYI-1015462

A

Molecule Summary:

ID: FYI-1015462
Names:
InChIKey: KCBVGGUZAOSFSD-UHFFFAOYSA-N
SMILES: CCCCCCNC2CN=C(C(=O)Nc1ccc(CC)cc1)C=N2

Received at FYIcenter.com on: 2025-09-03

Molecule ID: FYI-1015462 Edit

Molecule Structure InChIKey: KCBVGGUZAOSFSD-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCNC2CN=C(C(=O)Nc1ccc(CC)cc1)C=N2

Download SDF Download SVG Structure in 2D SDF:

FYI-1015462
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
   12.1244    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9118    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    3.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6994    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    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
    2.4248    1.4000    0.0000 C   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
    0.0000    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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 13  8  1  0  0  0  0
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 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 20  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015462-3D
FYIcenter.com

 52 53  0  0  1  0  0  0  0  0999 V2000
    0.6380    2.9801   -0.5845 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1562    2.9594   -0.5414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7601    3.7718   -1.6861 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2864    3.7298   -1.6315 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9134    4.5085   -2.7899 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4402    4.5666   -2.6972 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0441    3.2344   -2.7016 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5002    3.2961   -2.6156 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.0494    3.7880   -1.2438 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6541    2.8978   -0.1200 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6906    1.6431   -0.4642 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3303    0.5787    0.5512 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6303   -0.5697    0.2600 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6719    1.0375    1.6779 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1595    0.2229    2.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4665   -1.1349    2.8269 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8850   -1.9255    3.8197 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9769   -1.3747    4.7242 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3304   -2.2557    5.7620 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1519   -2.3423    7.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6965   -0.0041    4.6441 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2891    0.7900    3.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1110    1.2074   -1.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0344    1.9621   -2.8975 N   0  0  0  0  0  0  0  0  0  0  0  0
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    0.2578    4.0024   -0.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5037    1.9212   -0.5991 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4136    3.3718   -2.6467 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6177    2.6852   -1.6628 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6295    4.1498   -0.6780 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8205    5.1552   -3.5407 H   0  0  0  0  0  0  0  0  0  0  0  0
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    9.5048    0.1822   -1.9243 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2 28  1  0  0  0  0
  2 29  1  0  0  0  0
  3  4  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  4  5  1  0  0  0  0
  4 32  1  0  0  0  0
  4 33  1  0  0  0  0
  5  6  1  0  0  0  0
  5 34  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6 36  1  0  0  0  0
  6 37  1  0  0  0  0
  7  8  1  0  0  0  0
  7 38  1  0  0  0  0
  8  9  1  0  0  0  0
  8 24  1  0  0  0  0
  8 39  1  0  0  0  0
  9 10  1  0  0  0  0
  9 40  1  0  0  0  0
  9 41  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
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 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 15 16  1  0  0  0  0
 15 22  2  0  0  0  0
 16 17  2  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
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 18 21  2  0  0  0  0
 19 20  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 50  1  0  0  0  0
 22 51  1  0  0  0  0
 23 24  2  0  0  0  0
 23 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-11-06, 650👍, 0💬