Molecule FYI-1007147

A

Molecule Summary:

ID: FYI-1007147
Names:
InChIKey: APXAPKLHPKNYBU-UHFFFAOYSA-N
SMILES: CC(C)c3c(c1ccc(N)cc1)oc2cc(Cl)cc(O)c2c3=O

Received at FYIcenter.com on: 2024-02-03

Molecule ID: FYI-1007147 Edit

Molecule Structure InChIKey: APXAPKLHPKNYBU-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)c3c(c1ccc(N)cc1)oc2cc(Cl)cc(O)c2c3=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1007147
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
    3.6373    2.8000    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
    1.2124    2.8000    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
    0.0000    2.1000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    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
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  5  7  1  0  0  0  0
  3  8  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
  2 12  1  0  0  0  0
  1  9  1  0  0  0  0
 12 13  2  0  0  0  0
 11 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 10 17  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
 17 18  2  0  0  0  0
 20 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007147-3D
FYIcenter.com

 39 41  0  0  0  0  0  0  0  0999 V2000
    1.4973    1.0236    0.5954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5223    0.0621   -0.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6236    0.8320   -0.7513 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0335   -0.9414    1.0124 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8757   -2.2825    0.9455 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2780   -2.9257   -0.2356 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0986   -3.3241   -1.2977 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5342   -3.7728   -2.4962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1487   -3.8734   -2.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5911   -4.1303   -3.8987 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3340   -3.4653   -1.5813 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8895   -3.0209   -0.3760 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2661   -3.1865    1.9142 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7569   -2.7038    3.1001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9860   -3.6443    4.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5046   -3.2299    5.3338 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7847   -4.3808    6.5824 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7977   -1.8871    5.5609 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5600   -0.9514    4.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8371    0.3617    4.8043 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0340   -1.3540    3.3128 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7556   -0.4121    2.2072 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1071    0.7623    2.2528 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0911    1.6917   -0.1716 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9315    1.6526    1.3783 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6589    0.4703    1.0330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9785   -0.4703   -0.8055 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1489    1.5364   -0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1857    1.4171   -1.5695 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3587    0.1506   -1.1913 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1800   -3.2385   -1.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1902   -4.0163   -3.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1785   -4.6901   -4.5083 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3676   -4.4615   -3.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7469   -3.4633   -1.6945 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2313   -2.6946    0.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7553   -4.6926    3.9383 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2015   -1.5794    6.5211 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2745    0.4669    5.6639 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  1  0  0  0  0
  2  4  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  2  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  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 11  2  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 21  2  0  0  0  0
 15 16  2  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
$$$$

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2024-02-11, 1114👍, 0💬