Molecule FYI-1005582

A

Molecule Summary:

ID: FYI-1005582
Names:
InChIKey: VQYOBHHKEGYQHL-UHFFFAOYSA-N
SMILES: CC(=O)c1ccccc1Nc3cc2oc(=O)cc(C)c2cc3Cl

Received at FYIcenter.com on: 2023-11-06

Molecule ID: FYI-1005582 Edit

Molecule Structure InChIKey: VQYOBHHKEGYQHL-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(=O)c1ccccc1Nc3cc2oc(=O)cc(C)c2cc3Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1005582
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 Cl  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  2  1  0  0  0  0
  5  4  2  0  0  0  0
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  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
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 20 13  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 11  1  0  0  0  0
 23 22  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005582-3D
FYIcenter.com

 37 39  0  0  0  0  0  0  0  0999 V2000
    6.7340   -1.3616   -0.6671 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9310   -2.6398   -0.6433 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8716   -3.3541   -1.6418 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2188   -3.0324    0.6179 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0679   -4.4110    0.8213 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5849   -4.8865    2.0392 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2276   -3.9891    3.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3748   -2.6150    2.8464 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8076   -2.0991    1.6202 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9179   -0.6671    1.5202 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0957    0.1881    2.2562 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8907   -0.2992    2.5243 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0167    0.5543    2.9830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9207   -0.1837    3.1231 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1621   -0.9502    3.2496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3110   -1.9579    2.5893 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6850    0.5177    3.6513 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1886    1.7618    3.7844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5311    3.0204    4.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8577    1.8235    3.4338 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1835    2.3539    3.3042 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2834    1.5182    2.6668 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7950    2.1748    2.1226 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.3267   -1.3382   -1.5904 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4298   -1.3095    0.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0773   -0.4953   -0.6409 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3668   -5.1241    0.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5407   -5.9565    2.2195 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8436   -4.3600    3.9838 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1908   -1.9422    3.6792 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8749   -0.3224    1.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4611   -1.2340    2.1847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7571    0.2766    3.7360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3663    4.0401    4.4252 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9372    2.6708    4.9972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0541    3.1575    3.0973 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5551    3.3528    3.5953 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
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  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  2  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  2  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 33  1  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 22 23  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-11-13, 2267👍, 0💬