Molecule FYI-1006351

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A

Molecule Summary:

ID: FYI-1006351
Names:
InChIKey: GFAXLKBDQWWFNP-UHFFFAOYSA-N
SMILES: NCc2ccc1CCN(C=O)c1c2

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006351 Edit

Molecule Structure InChIKey: GFAXLKBDQWWFNP-UHFFFAOYSA-N

Molecule Structure SMILES String: NCc2ccc1CCN(C=O)c1c2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006351
FYIcenter.com

 13 14  0  0  0  0  0  0  0  0999 V2000
    6.0954    5.4979    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7260    5.2069    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2934    3.8753    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2301    2.8350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7975    1.5035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4913    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9240    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.7834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3587    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282    0.0000    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  2  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  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12  9  1  0  0  0  0
 13 12  1  0  0  0  0
 13  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006351-3D
FYIcenter.com

 25 26  0  0  0  0  0  0  0  0999 V2000
    1.5860    0.8765   -0.5612 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5162   -0.0630    0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9410   -1.1215   -0.9285 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6803   -2.4860   -0.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9954   -3.4676   -1.6210 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5891   -3.0711   -2.8067 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9187   -3.9134   -4.0008 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7153   -2.9288   -4.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5047   -1.5998   -4.2935 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9492   -0.4471   -4.8768 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5504   -0.3839   -5.9458 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8887   -1.7299   -3.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5773   -0.7472   -2.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2326    1.5169    0.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7800    0.3574   -0.9102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0328   -0.5216    0.9270 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3996    0.4730    0.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2045   -2.7857    0.2549 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7611   -4.5101   -1.4317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9938   -4.2113   -4.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5044   -4.8016   -3.7480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4012   -2.9446   -5.9185 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7896   -3.1461   -4.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7200    0.4629   -4.3024 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7835    0.3008   -2.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  2  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 24  1  0  0  0  0
 12 13  1  0  0  0  0
 13 25  1  0  0  0  0
M  END
$$$$

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2023-12-29, 268👍, 0💬