Molecule FYI-1014351

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A

Molecule Summary:

ID: FYI-1014351
Names:
InChIKey: XXJPZTRQUNCWQN-UHFFFAOYSA-N
SMILES: O=C(Nc1cc[nH]n1)NC2CCOCC2

Received at FYIcenter.com on: 2025-04-03

Molecule ID: FYI-1014351 Edit

Molecule Structure InChIKey: XXJPZTRQUNCWQN-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc1cc[nH]n1)NC2CCOCC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1014351
FYIcenter.com

 15 16  0  0  0  0  0  0  0  0999 V2000
    4.8499    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    1.6290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    2.6694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 15 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014351-3D
FYIcenter.com

 29 30  0     0  0  0  0  0  0999 V2000
    4.4563    0.7532    0.6152 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4306   -1.7454   -0.2218 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9940    0.0675   -0.3870 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2549    0.4518   -0.1607 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5223    1.3099    0.0627 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8060    0.9363    0.1992 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2173   -0.6930   -0.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8001   -1.0053    0.8754 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2452    0.0404   -1.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4669    0.2191    1.4939 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8960    1.1985   -0.6191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2628   -0.5285   -0.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6494    0.2647   -0.0157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4154   -0.8717    0.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7344   -0.3975    0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9643   -1.6402   -0.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5615   -1.7864    0.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0337   -1.3978    1.5531 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7919    0.4019   -2.2993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0310   -0.6755   -1.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7347    0.9977    1.7376 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9677   -0.0635    2.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7091    1.6173   -1.2208 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1832    2.0081   -0.4254 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0534    1.0794   -0.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9572    1.4231   -0.2028 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0814   -1.8985    0.0539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3109    2.2993    0.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6463   -0.9684    0.3074 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2 12  2  0  0  0  0
  3  7  1  0  0  0  0
  3 12  1  0  0  0  0
  3 25  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  5 28  1  0  0  0  0
  6 15  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 27  1  0  0  0  0
 15 29  1  0  0  0  0
M  END
$$$$

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2025-04-26, 1257👍, 0💬