Molecule FYI-1000319

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Molecule Summary:

ID: FYI-1000319
SMILES: CCc1ccc(NCCc2n[nH]c(C(C)C)n2)cc1

Received at FYIcenter.com on: 2021-04-05

Molecule ID: FYI-1000319 Edit

Molecule Structure SMILES String: CCc1ccc(NCCc2n[nH]c(C(C)C)n2)cc1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000319
FYIcenter.com

 19 20  0  0  0  0  0  0  0  0999 V2000
   11.9645    0.5950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9645    1.9950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521    2.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7521    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3272    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1148    4.7950    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9024    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6899    4.7950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4775    4.0950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1986    4.6644    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2617    3.6240    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9617    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3923    1.1326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3312    2.7027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3272    2.6950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5396    1.9950    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  1  0  0  0  0
  9  8  1  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  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 13  2  0  0  0  0
 17 10  1  0  0  0  0
 18  6  1  0  0  0  0
 19 18  2  0  0  0  0
 19  3  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000319-3D
FYIcenter.com

 41 42  0  0  0  0  0  0  0  0999 V2000
    2.7578    0.0862   -0.9322 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7418    0.1348    0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3321   -0.2873    1.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9545    0.6518    2.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4564    0.2773    3.5924 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3904   -1.0457    4.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7876   -1.4573    5.3183 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3614   -0.4755    6.2421 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7029   -1.1073    7.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2065   -0.0864    8.5409 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4932    0.2763    8.6119 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4604    1.1967    9.5897 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1928    1.3684   10.0710 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8601    2.2892   11.1993 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9105    3.3950   10.7407 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2474    1.4995   12.3561 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3783    0.5745    9.4087 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7807   -1.9846    3.1947 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2624   -1.6140    1.9477 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2904    0.3957   -1.8723 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1545   -0.9261   -1.0663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6020    0.7561   -0.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8849   -0.5051   -0.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3407    1.1522    0.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0379    1.6898    2.0298 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9088    1.0545    4.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2659   -2.3552    5.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6358    0.3312    6.4081 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2671   -0.0343    5.8067 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4516   -1.8973    7.4537 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8140   -1.5923    8.0114 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3210    1.6463    9.8797 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7807    2.7633   11.5634 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9732    2.9860   10.3466 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3669    4.0006    9.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6626    4.0632   11.5728 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3121    1.0112   12.0584 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0303    2.1558   13.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9332    0.7175   12.7010 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6772   -3.0156    3.5204 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7818   -2.3695    1.3298 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  1  0  0  0  0
  3 19  2  0  0  0  0
  4  5  2  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  2  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  2  0  0  0  0
 10 17  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 16 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 18 19  1  0  0  0  0
 18 40  1  0  0  0  0
 19 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-07-26, 202👍, 0💬