Molecule FYI-1014274

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A

Molecule Summary:

ID: FYI-1014274
Names:
InChIKey: UIKROCXWUNQSPJ-UHFFFAOYSA-N
SMILES: CN1C(=O)CCC1c2cccnc2

Received at FYIcenter.com on: 2025-03-20

Molecule ID: FYI-1014274 Edit

Molecule Structure InChIKey: UIKROCXWUNQSPJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CN1C(=O)CCC1c2cccnc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014274
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    4.4050    3.0292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1926    2.3292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9137    2.8986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9768    1.8582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6768    0.6458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0463    0.9369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0866    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6225    4.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6629    5.2048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    6.5742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    7.0068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.0700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2911    4.7006    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  0  0  0  0
  6  2  1  0  0  0  0
  7  6  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014274-3D
FYIcenter.com

 25 26  0     1  0  0  0  0  0999 V2000
    3.3629   -0.9451   -0.6276 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5447   -0.2713    0.7083 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2122   -1.2398   -0.9753 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5328    0.7738    0.6884 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1232    1.7938   -0.2846 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0055    0.9714   -1.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4306   -0.1994   -0.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8487    0.3052    0.2799 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5954   -1.2676    1.7600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9852    0.9475    0.7502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0097   -0.7723   -0.5715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2402    0.4957    0.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2990   -0.5919   -0.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4827    1.2056    1.6961 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7631    2.4925    0.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3797    2.3883   -0.8248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8735    1.5405   -1.5611 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4424    0.5973   -2.0799 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4305   -1.9529    1.5936 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6601   -1.8329    1.7699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7288   -0.7596    2.7187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9076    1.7995    1.4196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1703   -1.3201   -0.9859 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1436    0.9799    0.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2537   -0.9828   -0.8356 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  7  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  9  1  0  0  0  0
  3 11  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4 14  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 12  2  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
$$$$

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2025-04-11, 1287👍, 0💬