Molecule FYI-1009119

A

Molecule Summary:

ID: FYI-1009119
Names:
InChIKey: QZUDBNBUXVUHMW-UHFFFAOYSA-N
SMILES: CN4CCN(c2nc1cc(Cl)ccc1[nH]c3ccccc23)CC4

Received at FYIcenter.com on: 2024-05-01

Molecule ID: FYI-1009119 Edit

Molecule Structure InChIKey: QZUDBNBUXVUHMW-UHFFFAOYSA-N

Molecule Structure SMILES String: CN4CCN(c2nc1cc(Cl)ccc1[nH]c3ccccc23)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1009119
FYIcenter.com

 23 26  0  0  0  0  0  0  0  0999 V2000
   10.4744    6.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2620    6.2259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0496    6.9259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8371    6.2259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8371    4.8259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0496    4.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2620    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6247    4.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4679    4.9146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1301    4.5019    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6187    3.1986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2342    2.9900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3614    4.0846    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8729    5.3878    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    6.4824    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.3187    1.9862    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7030    1.7775    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0145    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3523    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0670    2.3172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7293    2.7298    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  1  0  0  0  0
  6  5  1  0  0  0  0
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  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  0  0  0  0
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 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
 23  8  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009119-3D
FYIcenter.com

 42 45  0     0  0  0  0  0  0999 V2000
    5.2439    2.8353    0.8560 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -1.6289    0.9168   -0.3205 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3632    1.7023   -0.2284 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6262    1.0722   -0.2402 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7471   -1.6397   -0.8514 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0088    2.1397    0.3812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5402    0.4969   -1.3813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4521    2.0346    0.8767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9719    0.4275   -0.8474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4311    0.3196   -0.1249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4505   -1.1426    0.1836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7450    1.6402    0.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5217   -2.0295   -0.2914 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9691    0.7093   -0.1235 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5168   -0.5110   -0.5330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5654   -1.6459    0.8840 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3191   -3.4133   -0.0952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7357   -3.0154    1.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8386    1.7381    0.2890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7981   -3.9034    0.5783 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9205   -0.6639   -0.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2219    1.5681    0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7660    0.3641   -0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3524    2.3157    1.2420 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.8404    0.2022   -0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
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  2 10  1  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 12  1  0  0  0  0
  4 10  2  0  0  0  0
  4 14  1  0  0  0  0
  5 13  1  0  0  0  0
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  5 36  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  9  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  8 28  1  0  0  0  0
  8 29  1  0  0  0  0
  9 30  1  0  0  0  0
  9 31  1  0  0  0  0
 10 11  1  0  0  0  0
 11 13  1  0  0  0  0
 11 16  2  0  0  0  0
 12 32  1  0  0  0  0
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 13 17  2  0  0  0  0
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 14 19  1  0  0  0  0
 15 21  1  0  0  0  0
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 21 23  2  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 23 42  1  0  0  0  0
M  END
$$$$

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2024-05-05, 209👍, 0💬