Molecule FYI-1014009

A

Molecule Summary:

ID: FYI-1014009
Names:
InChIKey: UJUFTQYITHXUQI-UHFFFAOYSA-N
SMILES: Clc4ccc(C2CC(N1CCCC1)CC2c3ccccc3)cc4Cl

Received at FYIcenter.com on: 2025-02-16

Molecule ID: FYI-1014009 Edit

Molecule Structure InChIKey: UJUFTQYITHXUQI-UHFFFAOYSA-N

Molecule Structure SMILES String: Clc4ccc(C2CC(N1CCCC1)CC2c3ccccc3)cc4Cl

Download SDF Download SVG Structure in 2D SDF:

FYI-1014009
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
    1.2124    3.2468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    6.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    5.3466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4247    3.9467    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6370    6.0466    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9159    5.4772    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8526    6.5175    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1527    7.7299    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7833    7.4389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2071    4.1079    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667    3.1712    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4578    1.8018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7891    1.3693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8294    2.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5384    3.6754    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7220    9.0087    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0801    0.0000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    8.1630    1.8727    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1143    9.1551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8989   10.1412    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7783   11.2305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0763   10.7059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
  7  8  1  0  0  0  0
  8 12  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
 12 13  2  0  0  0  0
 10 18  1  0  0  0  0
 15 19  1  0  0  0  0
 16 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 21  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014009-3D
FYIcenter.com

 47 50  0  0  1  0  0  0  0  0999 V2000
    1.5604    1.6112   -0.2103 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.0302    0.8193   -0.0846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0210    1.3104   -0.8592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2839    0.7123   -0.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5203   -0.3876    0.0387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8585   -1.0884    0.1138 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.7346   -1.0435   -1.1359 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0660   -1.6870   -0.7018 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.2202   -3.1456   -0.8763 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7126   -3.7267   -2.1241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8160   -3.5061   -3.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0734   -3.7412   -2.3173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6565   -3.5145   -0.8641 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1338   -1.4056    0.8306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8419   -0.6504    1.2225 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.0504    0.8481    1.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2592    1.5300    2.3556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4837    2.8791    2.6440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5009    3.5720    1.9936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2735    2.9241    1.0368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0474    1.5771    0.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4519   -0.8703    0.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1846   -0.2756    0.7540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0701   -0.9537    1.7312 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.8681    2.1593   -1.5198 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0769    1.1302   -1.4123 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6314   -2.1539    0.2786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2486   -1.5001   -1.9993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9427   -0.0106   -1.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8710   -1.1554   -1.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5745   -4.8038   -1.9632 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7433   -3.3589   -2.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7431   -4.1887   -3.9855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7950   -2.4782   -3.5146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4233   -4.7718   -2.4490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8765   -3.0672   -2.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7783   -4.4442   -0.2958 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2989   -2.7689   -0.3803 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1529   -2.3479    1.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0595   -0.8876    1.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4986   -1.0487    2.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4686    1.0073    2.8914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8741    3.3832    3.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6931    4.6140    2.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0697    3.4602    0.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6793    1.1084   -0.0021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6044   -1.7295    1.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2 23  2  0  0  0  0
  3  4  2  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  2  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  6 27  1  0  0  0  0
  7  8  1  0  0  0  0
  7 28  1  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 33  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  1  0  0  0  0
 12 35  1  0  0  0  0
 12 36  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 39  1  0  0  0  0
 14 40  1  0  0  0  0
 15 16  1  0  0  0  0
 15 41  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
 17 42  1  0  0  0  0
 18 19  1  0  0  0  0
 18 43  1  0  0  0  0
 19 20  2  0  0  0  0
 19 44  1  0  0  0  0
 20 21  1  0  0  0  0
 20 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 23 24  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-03-12, 689👍, 0💬