Molecule FYI-1008917

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A

Molecule Summary:

ID: FYI-1008917
Names:
InChIKey: LNRQIEJKAOJNFM-UHFFFAOYSA-N
SMILES: CC(C)c1cc(=O)nc(N(C)C)[nH]1

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

Molecule ID: FYI-1008917 Edit

Molecule Structure InChIKey: LNRQIEJKAOJNFM-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)c1cc(=O)nc(N(C)C)[nH]1

Download SDF Download SVG Structure in 2D SDF:

FYI-1008917
FYIcenter.com

 13 13  0  0  0  0  0  0  0  0999 V2000
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    3.6373    2.8000    0.0000 N   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
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 10  4  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008917-3D
FYIcenter.com

 28 28  0     0  0  0  0  0  0999 V2000
    0.6106   -3.2337   -0.1623 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1892    0.6536    0.0528 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0500    1.1859    0.0540 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4148   -1.0776   -0.0586 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6281    0.3514    0.0658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2466   -0.2221    0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8849    1.2510   -1.1412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8411    1.1176    1.3685 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1064    0.1925    0.0127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0136   -1.5413   -0.0542 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4028   -2.0247   -0.0963 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3461    0.9458    0.6487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8730    2.4016   -0.7086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3662   -0.4611    0.0353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3967    1.6415    0.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2425    2.1385   -1.1435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9238    1.5994   -1.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7169    0.7098   -2.0791 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2047    2.0064    1.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6365    0.4835    2.2386 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8809    1.4552    1.4450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8054   -2.2801   -0.0842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0220    0.4879   -0.0807 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2680    0.2817    1.5165 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7973    1.8809    0.9979 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3355    3.1486   -0.1155 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3163    2.2194   -1.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8371    2.8354   -0.9970 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 11  2  0  0  0  0
  2  6  1  0  0  0  0
  2  9  1  0  0  0  0
  2 15  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  9  2  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  8  1  0  0  0  0
  5 14  1  0  0  0  0
  6 10  2  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8 19  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
 13 28  1  0  0  0  0
M  END
$$$$

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2024-06-03, 168👍, 0💬