Molecule FYI-1014405

A

Molecule Summary:

ID: FYI-1014405
Names:
InChIKey: HRTZYBSWNCYMCS-UHFFFAOYSA-N
SMILES: O=C(Nc1cccc(F)c1)c3ccc(N2CCOCC2)cc3

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

Molecule ID: FYI-1014405 Edit

Molecule Structure InChIKey: HRTZYBSWNCYMCS-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc1cccc(F)c1)c3ccc(N2CCOCC2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014405
FYIcenter.com

 22 24  0  0  0  0  0  0  0  0999 V2000
    6.0622    9.0999    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    9.0999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.0999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.8999    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    6.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.8999    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
    4.8498    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    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
    6.0622    4.8999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.2999    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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  8  2  0  0  0  0
 10  4  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
 21 14  1  0  0  0  0
 22 21  2  0  0  0  0
 22 11  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014405-3D
FYIcenter.com

 39 41  0     0  0  0  0  0  0999 V2000
    6.3905    2.4441    0.0613 F   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9003    0.7350    0.2298 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7061   -2.2260   -0.0579 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1595    0.1787   -0.0484 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2203    0.0634   -0.0325 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6045    1.3748    0.6799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1476   -0.9019   -0.1375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9692    1.8148    0.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4839   -0.3405   -0.6108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7937   -0.1231   -0.0502 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3457   -1.3352    0.4752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8797    0.7891   -0.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0693   -0.7228   -0.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9836   -1.6349    0.4734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5174    0.4893   -0.5791 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3507   -1.0362   -0.0567 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366    0.0672   -0.0052 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3297    1.2776    0.0151 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3380   -1.1384    0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7243    1.2821    0.0408 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7325   -1.1338    0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4258    0.0765    0.0459 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6745    1.1266    1.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9028    2.2094    0.5756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8254   -1.6793   -0.8402 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2770   -1.3550    0.8532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9066    2.1785   -0.8707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3567    2.6320    0.7788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2523   -1.1189   -0.5676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4247    0.0101   -1.6484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0279   -2.0618    0.9072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2121    1.7289   -1.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6552   -2.5814    0.8950 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1496    1.2123   -1.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8179    0.9953    0.0144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7962    2.2245    0.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8732   -2.1139   -0.0145 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2801   -2.0719    0.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5115    0.0804    0.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 16  2  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 10  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  5 35  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 11 14  1  0  0  0  0
 11 31  1  0  0  0  0
 12 15  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 13 16  1  0  0  0  0
 14 33  1  0  0  0  0
 15 34  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 36  1  0  0  0  0
 19 21  2  0  0  0  0
 19 37  1  0  0  0  0
 20 22  2  0  0  0  0
 21 22  1  0  0  0  0
 21 38  1  0  0  0  0
 22 39  1  0  0  0  0
M  END
$$$$

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