Molecule FYI-1001601

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Molecule Summary:

ID: FYI-1001601
SMILES: CCN1N=C(c2ccc(OC)cc2)C(=CC1=O)c3ccc(OC)cc3

Received at FYIcenter.com on: 2022-09-28

Molecule ID: FYI-1001601 Edit

Molecule Structure SMILES String: CCN1N=C(c2ccc(OC)cc2)C(=CC1=O)c3ccc(OC)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1001601
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
   10.9120    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    5.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    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    3.5000    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    1.4000    0.0000 O   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
    3.6373    1.4000    0.0000 C   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
  2  1  1  0  0  0  0
  3  2  1  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
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  0  0  0  0
 13  6  1  0  0  0  0
 14  5  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 16  3  1  0  0  0  0
 17 16  2  0  0  0  0
 18 14  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  2  0  0  0  0
 25 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001601-3D
FYIcenter.com

 45 47  0  0  0  0  0  0  0  0999 V2000
    1.2130    0.4420    0.2611 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5969   -0.0789   -0.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0873   -1.0076    0.9112 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7697   -2.3344    0.7284 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0657   -3.1852    1.6711 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6733   -4.6175    1.4379 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6154   -5.1259    0.1323 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1830   -6.4431   -0.0872 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8413   -7.2779    0.9765 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3873   -8.5240    0.6524 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6069   -9.5378    1.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8941   -6.7782    2.2671 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2653   -5.4542    2.4757 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7600   -2.7918    2.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0638   -1.4920    3.0724 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7078   -0.5119    2.0428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9629    0.6764    2.2510 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1510   -3.6756    4.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2767   -3.8864    5.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6175   -4.7664    6.1589 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8546   -5.4085    6.1552 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1035   -6.1818    7.2532 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0237   -7.2523    7.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7413   -5.1802    5.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3896   -4.3220    4.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8788    1.1773   -0.4766 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2105    0.9212    1.2458 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4856   -0.3764    0.2890 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2934    0.7676   -0.1731 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5802   -0.5823   -1.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750   -4.5019   -0.7161 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1102   -6.8177   -1.1080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0891  -10.4395    1.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1962   -9.2960    2.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6760   -9.7623    1.6997 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6064   -7.3528    3.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1657   -5.1030    3.4858 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5748   -1.0940    3.9433 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2865   -3.4325    5.1355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9069   -4.9686    6.9574 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1725   -7.7193    8.0613 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0049   -6.9151    6.7383 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6057   -8.0050    6.4069 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7226   -5.6369    5.0739 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0955   -4.1635    3.2358 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  2  3  1  0  0  0  0
  2 29  1  0  0  0  0
  2 30  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 14  1  0  0  0  0
  6  7  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  2  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 11  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  1  0  0  0  0
 12 36  1  0  0  0  0
 13 37  1  0  0  0  0
 14 15  2  0  0  0  0
 14 18  1  0  0  0  0
 15 16  1  0  0  0  0
 15 38  1  0  0  0  0
 16 17  2  0  0  0  0
 18 19  1  0  0  0  0
 18 25  2  0  0  0  0
 19 20  2  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 21 24  2  0  0  0  0
 22 23  1  0  0  0  0
 23 41  1  0  0  0  0
 23 42  1  0  0  0  0
 23 43  1  0  0  0  0
 24 25  1  0  0  0  0
 24 44  1  0  0  0  0
 25 45  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 427👍, 0💬