Molecule FYI-1001599

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A

Molecule Summary:

ID: FYI-1001599
SMILES: C([C@@H](N1CCCCC1)c1ccccc1)c1ccccc1 |&1:1|

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

Molecule ID: FYI-1001599 Edit

Molecule Structure SMILES String: C([C@@H](N1CCCCC1)c1ccccc1)c1ccccc1 |&1:1|

Download SDF Download SVG Structure in 2D SDF:

FYI-1001599
FYIcenter.com

 20 22  0  0  1  0  0  0  0  0999 V2000
    3.6373    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  1  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  1  0  0  0  0
  8  3  1  0  0  0  0
  9  2  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
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15  1  1  0  0  0  0
 16 15  2  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-1001599-3D
FYIcenter.com

 43 45  0  0  1  0  0  0  0  0999 V2000
    1.1383    0.0018    0.1725 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3769    1.3585    0.0004 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7509    2.0836   -1.2449 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4114    1.3839   -2.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9564    2.1152   -3.7185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4865    3.5628   -3.7579 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8593    4.2552   -2.4552 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3077    3.4834   -1.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1367    1.1909    0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8668    2.2258    0.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2347    2.0970    1.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8975    0.9204    0.7653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1975   -0.1166    0.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8347    0.0225   -0.1221 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6544    0.0080    0.1651 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4102    1.0500    0.7142 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8054    0.9777    0.7417 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4618   -0.1388    0.2294 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7245   -1.1889   -0.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3306   -1.1174   -0.3358 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8113   -0.6986   -0.6066 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8343   -0.4519    1.1264 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7246    1.9776    0.8383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6749    1.2687   -2.5911 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8514    0.3816   -2.4987 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6351    1.5965   -4.6288 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0540    2.0895   -3.7072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6018    3.5938   -3.8964 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9356    4.0858   -4.6076 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4619    5.2766   -2.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9509    4.3349   -2.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7860    3.5522   -1.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6510    3.9913   -0.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3697    3.1502    1.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7798    2.9137    1.5654 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9572    0.8109    0.9789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7103   -1.0400   -0.1002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3317   -0.8081   -0.6083 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9297    1.9310    1.1304 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3801    1.7957    1.1673 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5464   -0.1930    0.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2314   -2.0644   -0.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7721   -1.9546   -0.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  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  9  1  0  0  0  0
  2 23  1  1  0  0  0
  3  4  1  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
 12 13  2  0  0  0  0
 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 40  1  0  0  0  0
 18 19  2  0  0  0  0
 18 41  1  0  0  0  0
 19 20  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-07, 1441👍, 0💬