Molecule FYI-1008560

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A

Molecule Summary:

ID: FYI-1008560
Names:
InChIKey: HRBFKYQURRAOPN-UHFFFAOYSA-N
SMILES: CC(C)NC(=O)Cc1ccccn1

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008560 Edit

Molecule Structure InChIKey: HRBFKYQURRAOPN-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)NC(=O)Cc1ccccn1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008560
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    8.4871    2.8000    0.0000 C   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
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   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 C   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 N   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  5  1  0  0  0  0
  8  7  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-1008560-3D
FYIcenter.com

 27 27  0     0  0  0  0  0  0999 V2000
   -0.7754    0.2228   -1.2070 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3073   -0.2383    0.4755 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0424   -1.2405   -0.0566 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4985   -0.0328   -0.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9191    1.4303   -0.2643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6203   -0.9459    0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0347   -0.3610    0.9994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0294   -0.0907   -0.0468 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4374   -0.1619    0.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0289    1.0862    0.5999 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3248    1.2369    0.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3015   -1.0558   -0.5130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9803    0.1504   -0.4495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2677   -0.2889   -1.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4153   -0.4429    1.4650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1425    1.7455    0.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1223    2.0806   -0.6416 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8112    1.6015   -0.8758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8886   -0.7350    1.2076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3151   -1.9966    0.1112 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5171   -0.8206   -0.4492 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0784   -1.3976    1.3412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1446    0.2827    1.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5085    1.9283    1.0434 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8230    2.1994    0.1868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7685   -1.9336   -0.9472 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9905    0.2449   -0.8310 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  4  1  0  0  0  0
  2  8  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 24  1  0  0  0  0
 11 13  2  0  0  0  0
 11 25  1  0  0  0  0
 12 13  1  0  0  0  0
 12 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1394👍, 0💬