Molecule FYI-1014403

A

Molecule Summary:

ID: FYI-1014403
Names:
InChIKey: DRSWXMLUBXLUGO-UHFFFAOYSA-N
SMILES: O=C(CCNC(=O)c1ccnc2cccc(Cl)c12)N3CCOCC3

Received at FYIcenter.com on: 2025-04-15

Molecule ID: FYI-1014403 Edit

Molecule Structure InChIKey: DRSWXMLUBXLUGO-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(CCNC(=O)c1ccnc2cccc(Cl)c12)N3CCOCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014403
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    9.6995    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 N   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
    4.8498    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    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 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    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
    2.4249    0.7000    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
    7.2747    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 N   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
   10.9120    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
 13  8  1  0  0  0  0
 14  2  1  0  0  0  0
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 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 22  1  0  0  0  0
 24 14  1  0  0  0  0
 24 18  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014403-3D
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
    3.8113   -0.7857   -3.0515 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9258   -0.4385   -1.8737 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1087   -1.0954   -0.7725 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1090   -2.1263   -1.3026 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7255   -3.2850   -1.9209 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2895   -4.2966   -1.1695 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2781   -4.2956    0.0550 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0337   -5.3603   -1.9243 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8261   -4.9011   -2.9840 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6922   -5.7845   -3.5784 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8485   -7.0477   -3.1624 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1127   -7.4921   -2.1325 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3913   -8.7908   -1.7204 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7215   -9.3919   -0.6667 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6883   -8.7122   -0.0521 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3545   -7.4171   -0.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8648   -6.8166    0.1806 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.1149   -6.7259   -1.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7843    0.5828   -1.4948 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4926    1.3631   -2.5144 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0073    1.2862   -2.3023 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3624    1.6732   -0.9636 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7221    0.8185   -0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1938    0.9041   -0.1217 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.8229   -3.8711   -3.3144 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3241   -5.4823   -4.4044 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1731   -9.3437   -2.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9855  -10.4015   -0.3530 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1240   -9.1979    0.7409 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1570    2.4009   -2.3980 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2336    1.0379   -3.5259 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5181    1.9667   -2.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3816    0.2735   -2.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0424    1.1381    0.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0710   -0.2098   -0.1553 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8613    1.9300    0.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7285    0.2468    0.6137 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  2  0  0  0  0
  9 10  2  0  0  0  0
  9 30  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 11 12  2  0  0  0  0
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 12 18  1  0  0  0  0
 13 14  2  0  0  0  0
 13 32  1  0  0  0  0
 14 15  1  0  0  0  0
 14 33  1  0  0  0  0
 15 16  2  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 19 20  1  0  0  0  0
 19 24  1  0  0  0  0
 20 21  1  0  0  0  0
 20 35  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 37  1  0  0  0  0
 21 38  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 39  1  0  0  0  0
 23 40  1  0  0  0  0
 24 41  1  0  0  0  0
 24 42  1  0  0  0  0
M  END
$$$$

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2025-04-26, 762👍, 0💬