Molecule FYI-1006369

A

Molecule Summary:

ID: FYI-1006369
Names:
InChIKey: QTAMCFKITYHSFD-UHFFFAOYSA-N
SMILES: Cc1noc(Cl)c1CCC(=O)N4CC=C(C3C=CC(C2N=NNN2)=CC3)CC4

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006369 Edit

Molecule Structure InChIKey: QTAMCFKITYHSFD-UHFFFAOYSA-N

Molecule Structure SMILES String: Cc1noc(Cl)c1CCC(=O)N4CC=C(C3C=CC(C2N=NNN2)=CC3)CC4

Download SDF Download SVG Structure in 2D SDF:

FYI-1006369
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   13.4461    3.5542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4864    4.4911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8559    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.5559    5.4124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.6190    6.4528    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9102    7.8223    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   14.3401    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7028    7.9834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    5.8834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    6.5834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0654    5.8834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0654    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.4834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.7834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    2.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2156    1.6834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9367    2.2527    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0693    0.2911    0.0000 N   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  1  0  0  0  0
  6  5  1  0  0  0  0
  7  5  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 10  1  0  0  0  0
 13 12  1  0  0  0  0
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 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
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 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 23 18  1  0  0  0  0
 24 21  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 24  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006369-3D
FYIcenter.com

 51 54  0  0  1  0  0  0  0  0999 V2000
    3.1434   -0.4237   -0.4335 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6568    0.1594    0.8291 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0603   -0.6522    1.8140 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4697    0.1772    2.8388 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3092    1.4756    2.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6961    2.7922    3.5089 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    3.7925    1.5311    1.1934 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4498    2.7456    0.3928 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0190    3.2152    0.6483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6552    4.4571   -0.1526 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4739    4.9969   -0.8966 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3612    4.9382    0.0019 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0839    6.0581   -0.8248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1484    6.8757   -0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7045    6.5801    1.0592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6657    7.5244    1.7806 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9751    6.8446    2.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2209    6.3524    3.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2022    6.3903    4.3971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3096    5.4174    5.5565 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.5691    5.5997    6.2973 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1191    4.4831    6.4644 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4487    3.5340    5.7488 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2848    4.0106    5.1442 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.0129    8.1308    3.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3057    5.2979    1.7576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6755    4.2936    0.7996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1773   -1.5193   -0.4137 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7417   -0.0863   -1.2849 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1033   -0.1255   -0.5972 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.1544    3.5529    0.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.1645    4.8042    2.2160 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.2974    3.4500    1.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 26  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  2  0  0  0  0
 17 40  1  0  0  0  0
 18 19  1  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  2  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 20 42  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
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 23 43  1  0  0  0  0
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 27 28  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 28 50  1  0  0  0  0
 28 51  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-29, 1100👍, 0💬