Molecule FYI-1006382

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A

Molecule Summary:

ID: FYI-1006382
Names:
InChIKey: NVQNLWRDGFKNME-UHFFFAOYSA-N
SMILES: CN3CCN(C1=NCCNc2ccc(N)cc12)CC3

Received at FYIcenter.com on: 2023-12-13

Molecule ID: FYI-1006382 Edit

Molecule Structure InChIKey: NVQNLWRDGFKNME-UHFFFAOYSA-N

Molecule Structure SMILES String: CN3CCN(C1=NCCNc2ccc(N)cc12)CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1006382
FYIcenter.com

 19 21  0  0  0  0  0  0  0  0999 V2000
    7.8557    6.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6433    6.2260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4309    6.9260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2184    6.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2184    4.8260    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4309    4.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6433    4.8260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0059    4.1260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8493    4.9146    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5114    4.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    1.9863    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0843    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3958    0.4127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7337    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7599    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0977    0.5397    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4484    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1107    2.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  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  1  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  2  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  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
 19 18  2  0  0  0  0
 19  8  1  0  0  0  0
 19 13  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006382-3D
FYIcenter.com

 40 42  0  0  0  0  0  0  0  0999 V2000
    2.4333   -0.0185    0.0849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249   -0.0153   -0.2972 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3347   -1.2128    0.2353 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1473   -1.2522   -0.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8329   -0.0114    0.1739 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0741   -0.0213    0.7841 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1891   -0.6522    1.9084 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4952   -0.6756    2.5643 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8795    0.7036    3.0996 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1137    1.7485    2.1002 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1543    1.4537    0.7399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1678    2.0427   -0.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2448    1.8407   -1.4201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3251    1.0295   -2.0733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2935    0.9782   -3.4711 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2933    0.4673   -1.3229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2173    0.6526    0.0744 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1562    1.2291   -0.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3315    1.1878    0.2188 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9377   -0.8948   -0.3377 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5745   -0.0288    1.1711 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9422    0.8614   -0.3233 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4041   -1.2403    1.3312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8207   -2.1183   -0.1474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6297   -2.1206    0.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2192   -1.3914   -1.2649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4165   -1.3583    3.4192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2659   -1.1007    1.9119 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1116    1.0677    3.7904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8027    0.5951    3.6837 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7826    2.4480    2.4048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9148    2.6764    0.4346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0317    2.3410   -1.9800 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1926    1.1340   -3.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8045    0.1756   -3.8507 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5336   -0.1245   -1.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6297    2.0918    0.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2325    1.3734   -1.2877 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3951    1.2186    1.3158 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8233    2.0910   -0.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  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 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6  7  2  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  1  0  0  0  0
  9 29  1  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  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  2  0  0  0  0
 12 32  1  0  0  0  0
 13 14  1  0  0  0  0
 13 33  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 34  1  0  0  0  0
 15 35  1  0  0  0  0
 16 17  1  0  0  0  0
 16 36  1  0  0  0  0
 18 19  1  0  0  0  0
 18 37  1  0  0  0  0
 18 38  1  0  0  0  0
 19 39  1  0  0  0  0
 19 40  1  0  0  0  0
M  END
$$$$

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2023-12-29, 1175👍, 0💬