Molecule FYI-1016182

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Molecule Summary:

ID: FYI-1016182
Names:
InChIKey: MXFSDTDLBBWLFQ-UHFFFAOYSA-N
SMILES: O=C(Nc1ccc(Cl)cc1)N2CCOC23CCCCC3

Received at FYIcenter.com on: 2025-11-29

Molecule ID: FYI-1016182 Edit

Molecule Structure InChIKey: MXFSDTDLBBWLFQ-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc1ccc(Cl)cc1)N2CCOC23CCCCC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016182
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    9.4903    6.4985    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    5.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    6.4985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    5.7985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    3.6985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    3.6985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    4.3985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    5.7985    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    3.6985    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.2680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.0151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.3062    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7783    0.9368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8188    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1502    0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4413    1.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4009    2.7388    0.0000 C   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  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  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  1  0  0  0  0
 15 11  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
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016182-3D
FYIcenter.com

 39 41  0     0  0  0  0  0  0999 V2000
    6.7296    1.0051    0.0203 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -3.4884   -1.3495   -0.1911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0627    1.1755    0.0998 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2443   -0.8018   -0.0305 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1001   -0.8366   -0.0185 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5898   -0.2172   -0.0496 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8251    0.6914   -1.2680 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9348    0.5052    1.2661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2314    1.2937   -1.2761 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3412    1.1062    1.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5415    2.0157    0.0316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3475   -2.2450   -0.1160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7806   -2.5074    0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0566   -0.0543    0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4468   -0.3961   -0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4806   -1.3255   -0.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7304    0.9644    0.0826 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8064   -0.8917   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0561    1.3980    0.0918 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0941    0.4700    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6874    0.1187   -2.1939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0973    1.5100   -1.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2142    1.3070    1.4643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8711   -0.1909    2.1115 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9730    0.5030   -1.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3242    1.9944   -2.1137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5124    1.6759    2.1606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0877    0.3028    1.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8923    2.8949    0.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5742    2.3820    0.0138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6477   -2.7634    0.5439 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1502   -2.5256   -1.1561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1892   -3.4089   -0.1986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9038   -2.5808    1.3514 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9958   -1.8419   -0.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2698   -2.3893   -0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9906    1.7474    0.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6051   -1.6262   -0.1481 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2670    2.4620    0.1649 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 20  1  0  0  0  0
  2  6  1  0  0  0  0
  2 13  1  0  0  0  0
  3 14  2  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5 14  1  0  0  0  0
  5 15  1  0  0  0  0
  5 35  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 11  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 13  1  0  0  0  0
 12 31  1  0  0  0  0
 12 32  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 36  1  0  0  0  0
 17 19  2  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
M  END
$$$$

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2025-12-09, 929👍, 0💬