Molecule FYI-1001597

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A

Molecule Summary:

ID: FYI-1001597
SMILES: COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC

Received at FYIcenter.com on: 2022-09-27

Molecule ID: FYI-1001597 Edit

Molecule Structure SMILES String: COC1=C(C=C2C(=C1)CC(C2=O)CC3CCN(CC3)CC4=CC=CC=C4)OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1001597
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
   13.6903    3.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9903    4.6166    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    4.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8903    3.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    3.4041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7903    4.6166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4903    5.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8903    5.8290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5536    6.8694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4210    4.9077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3805    3.9708    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5903    2.1917    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9903    2.1917    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  2  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  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  1  0  0  0  0
 12 11  2  0  0  0  0
 13 10  1  0  0  0  0
 14 13  1  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
 19 14  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
 27  4  1  0  0  0  0
 28 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001597-3D
FYIcenter.com

 57 60  0  0  1  0  0  0  0  0999 V2000
   13.2014    7.9968   -0.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6599    6.6438   -0.9219 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8100    5.7242   -0.3424 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4009    4.5969    0.2957 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5849    3.6954    0.9754 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2245    3.9332    0.9794 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6188    4.9584    0.2742 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4111    5.8705   -0.4003 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1272    4.9270    0.3865 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8436    3.7174    1.3065 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2056    3.2111    1.7219 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4505    2.3477    2.5449 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8887    3.9216    2.4892 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3357    4.8099    3.6813 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3297    4.6964    4.8410 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9839    5.3538    4.5156 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0892    6.7408    4.0276 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1232    6.9262    2.9998 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4664    6.3066    3.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7874    7.2165    3.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6766    7.2013    4.5334 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7486    8.0241    5.6646 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7597    7.9632    6.6477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6871    7.0842    6.5082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5947    6.2730    5.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5832    6.3322    4.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7682    4.4812    0.2303 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.3337    3.3038    0.8044 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0563    8.6631   -0.9568 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7820    8.2110    0.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4685    8.2158   -1.5926 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9599    2.8334    1.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9457    6.6824   -0.9501 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6841    4.7581   -0.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7368    5.8727    0.7592 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4172    2.9251    0.6754 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6962    2.9205    2.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9249    4.2581    2.0909 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3020    4.4404    4.0451 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7542    5.1763    5.7332 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1669    3.6453    5.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3988    5.3451    5.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4452    4.7274    3.7948 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2808    8.0006    2.8433 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7951    6.5143    2.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8385    6.8136    4.2937 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2258    6.5006    2.6328 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4909    6.6188    2.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8847    8.2500    3.1452 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5960    8.6945    5.7902 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8397    8.5913    7.5312 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9289    7.0231    7.2859 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7626    5.5824    5.2682 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5056    5.6812    3.5255 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4220    3.3637    0.7116 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0006    2.4069    0.2703 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1036    3.2315    1.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  1 31  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  2  0  0  0  0
  5 32  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 34  1  0  0  0  0
  9 35  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  2  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 19  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 40  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 42  1  0  0  0  0
 16 43  1  0  0  0  0
 17 18  1  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 18 44  1  0  0  0  0
 18 45  1  0  0  0  0
 19 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 21  1  0  0  0  0
 20 48  1  0  0  0  0
 20 49  1  0  0  0  0
 21 22  2  0  0  0  0
 21 26  1  0  0  0  0
 22 23  1  0  0  0  0
 22 50  1  0  0  0  0
 23 24  2  0  0  0  0
 23 51  1  0  0  0  0
 24 25  1  0  0  0  0
 24 52  1  0  0  0  0
 25 26  2  0  0  0  0
 25 53  1  0  0  0  0
 26 54  1  0  0  0  0
 27 28  1  0  0  0  0
 28 55  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 428👍, 0💬