Molecule FYI-1000437

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Molecule Summary:

ID: FYI-1000437
SMILES: Oc1ccccc1C1CC(=NN1)C1=Cc2ccccc2OC1=O

Received at FYIcenter.com on: 2021-06-24

Molecule ID: FYI-1000437 Edit

Molecule Structure SMILES String: Oc1ccccc1C1CC(=NN1)C1=Cc2ccccc2OC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000437
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
   10.7794    1.3362    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.7794    2.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9918    3.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9918    4.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7794    5.5362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5669    4.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5669    3.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3545    2.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0756    3.3057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1388    2.2653    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8388    1.0528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2082    1.3439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7465    2.4116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    3.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    3.8369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2153    5.1159    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    5.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    2.8507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.7043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    1.4253    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    1.2790    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  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
  7  2  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
 12  8  1  0  0  0  0
 13 10  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 22 13  1  0  0  0  0
 23 22  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000437-3D
FYIcenter.com

 37 40  0  0  1  0  0  0  0  0999 V2000
    2.3219    0.1071   -0.1205 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9586    0.1047   -0.0226 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2741   -1.1143   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1183   -1.1289    0.0532 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8198    0.0709    0.1190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1291    1.2856    0.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2758    1.3284    0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9584    2.6790   -0.0346 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9532    3.0211    1.0666 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0152    3.7177    0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8843    3.5906   -1.0346 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7385    2.8933   -1.2652 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1100    4.4932    0.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6332    5.5035    0.1898 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6653    6.3597    0.7560 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2364    7.4184    0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2111    8.2233    0.6508 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6171    7.9733    1.9644 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0521    6.9170    2.6763 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0855    6.1260    2.0604 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5390    5.0683    2.8087 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5669    4.2211    2.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1199    3.2964    2.9538 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6402   -0.8114   -0.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8047   -2.0599   -0.0703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6568   -2.0735    0.0452 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9059    0.0650    0.1639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7042    2.2090    0.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1844    3.4581   -0.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3713    2.1473    1.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249    3.7140    1.7985 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9605    1.9891   -1.6929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2959    5.7243   -0.8207 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9344    7.6315   -0.9756 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6536    9.0469    0.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3712    8.6011    2.4296 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3609    6.7144    3.6976 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  2  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 12  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 13  1  0  0  0  0
 11 12  1  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 22  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 34  1  0  0  0  0
 17 18  1  0  0  0  0
 17 35  1  0  0  0  0
 18 19  2  0  0  0  0
 18 36  1  0  0  0  0
 19 20  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-11-09, 2093👍, 0💬