Molecule FYI-1006014

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A

Molecule Summary:

ID: FYI-1006014
Names:
InChIKey: HCYAFALTSJYZDH-UHFFFAOYSA-N
SMILES: CNCCCN3c1ccccc1CCc2ccccc23

Received at FYIcenter.com on: 2023-11-24

Molecule ID: FYI-1006014 Edit

Molecule Structure InChIKey: HCYAFALTSJYZDH-UHFFFAOYSA-N

Molecule Structure SMILES String: CNCCCN3c1ccccc1CCc2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006014
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    9.5830    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3706    4.1259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1582    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9458    4.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7333    4.8259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5209    4.1259    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3642    4.9146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6757    6.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6493    7.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3116    6.8191    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0263    4.5020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5148    3.1987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2148    1.9863    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5992    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6254    2.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9633    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2748    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2486    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9107    0.4127    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
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 12  7  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
 16 15  2  0  0  0  0
 16  6  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006014-3D
FYIcenter.com

 42 44  0     0  0  0  0  0  0999 V2000
    0.0744   -0.0868   -0.3163 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3434   -0.7767    0.3916 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5283    1.2641    1.6994 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6511    0.4527    1.0741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0267    1.3285   -0.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9775   -1.0424   -0.2599 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4389   -0.5867   -0.5487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7895    2.0190    0.6324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2390   -0.8048    0.3383 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9492   -1.3524    0.6716 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6525    2.0933   -1.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7993   -2.3103   -0.8764 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8596    3.4234    0.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2473   -1.7986    0.2688 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3870   -1.8660    0.5465 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5767    3.4871   -1.3189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7997   -3.2847   -0.9157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1798    4.1532   -0.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0310   -3.0261   -0.3453 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7066   -1.2859    0.3386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8334    0.6340    2.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9609    1.9693    2.4202 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2454    1.0731    0.3902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3171    0.1613    1.8980 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5249   -1.1644   -1.4754 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1500    0.2360   -0.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3093   -2.2172    0.8805 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8745   -0.7088    1.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2264    1.6100   -2.0861 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1253   -2.5844   -1.3755 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4473   -2.5444   -0.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6227   -2.4481    1.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4494    3.9581    1.3469 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2239   -1.6128    0.7135 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1031    4.0477   -2.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6123   -4.2364   -1.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2435    5.2370   -0.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8201   -3.7705   -0.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2548   -0.1297    1.1747 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9772   -1.8090    1.2615 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4022   -0.4509    0.2094 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8443   -1.9627   -0.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2 15  1  0  0  0  0
  2 20  1  0  0  0  0
  2 39  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  9  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  8  1  0  0  0  0
  5 11  2  0  0  0  0
  6  9  1  0  0  0  0
  6 12  2  0  0  0  0
  7 10  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 13  2  0  0  0  0
  9 14  2  0  0  0  0
 10 15  1  0  0  0  0
 10 27  1  0  0  0  0
 10 28  1  0  0  0  0
 11 16  1  0  0  0  0
 11 29  1  0  0  0  0
 12 17  1  0  0  0  0
 12 30  1  0  0  0  0
 13 18  1  0  0  0  0
 13 33  1  0  0  0  0
 14 19  1  0  0  0  0
 14 34  1  0  0  0  0
 15 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 18  2  0  0  0  0
 16 35  1  0  0  0  0
 17 19  2  0  0  0  0
 17 36  1  0  0  0  0
 18 37  1  0  0  0  0
 19 38  1  0  0  0  0
 20 40  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-01, 1955👍, 0💬