Molecule FYI-1014350

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A

Molecule Summary:

ID: FYI-1014350
Names:
InChIKey: FNEFNEHNHCMWQD-UHFFFAOYSA-N
SMILES: O=C(Nc1cc[nH]n1)NC3CCOc2ccccc23

Received at FYIcenter.com on: 2025-04-03

Molecule ID: FYI-1014350 Edit

Molecule Structure InChIKey: FNEFNEHNHCMWQD-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc1cc[nH]n1)NC3CCOc2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1014350
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    4.8499    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    2.8077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904    2.5166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4904    3.7290    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    4.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    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
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    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  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  8  4  2  0  0  0  0
  9  2  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 19 14  1  0  0  0  0
 19 10  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014350-3D
FYIcenter.com

 33 35  0  0  1  0  0  0  0  0999 V2000
    2.4244    2.0030    2.5842 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1508    1.2122    1.6864 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8523    1.0249    1.2806 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4069    0.1525    0.3046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8918    0.1338   -0.2556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8626   -0.8583   -1.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3850   -1.3996   -1.1452 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1765   -0.7883   -0.2576 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0810    0.5087    0.9990 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5208    0.5727    1.1171 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0557    1.7268    0.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5329    1.5056    0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7484    0.3327   -0.7831 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1262   -0.7857   -0.2983 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5306   -2.0055   -0.8418 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9474   -3.1967   -0.4144 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9683   -3.1764    0.5752 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5555   -1.9592    1.1111 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0967   -0.7462    0.6482 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1774    1.6300    1.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7236    0.7839   -0.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6019   -1.2223   -1.9097 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7716   -2.1669   -1.6827 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6996   -0.1204    0.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7889    0.7337    2.1685 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8815    2.6864    0.7680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5272    1.7639   -0.6949 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1092    1.4321    0.9373 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9373    2.3512   -0.5598 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3017   -2.0231   -1.6096 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2526   -4.1423   -0.8575 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5116   -4.1024    0.9152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7654   -1.9501    1.8623 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  9  1  0  0  0  0
  3  4  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  8  2  0  0  0  0
  5  6  2  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 22  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 19  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  2  0  0  0  0
 15 16  2  0  0  0  0
 15 30  1  0  0  0  0
 16 17  1  0  0  0  0
 16 31  1  0  0  0  0
 17 18  2  0  0  0  0
 17 32  1  0  0  0  0
 18 19  1  0  0  0  0
 18 33  1  0  0  0  0
M  END
$$$$

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2025-04-26, 563👍, 0💬