Molecule FYI-1004342

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A

Molecule Summary:

ID: FYI-1004342
Names:
InChIKey: AAPKVDRDOXMBRF-UHFFFAOYSA-N
SMILES: N#CCCC3CCC(c1ccccc1)c2ccccc23

Received at FYIcenter.com on: 2023-08-31

Molecule ID: FYI-1004342 Edit

Molecule Structure InChIKey: AAPKVDRDOXMBRF-UHFFFAOYSA-N

Molecule Structure SMILES String: N#CCCC3CCC(c1ccccc1)c2ccccc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1004342
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    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
    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
    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
    3.6373    8.4001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    9.1001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   10.5001    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   11.2001    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  1  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  2 10  1  0  0  0  0
  1  7  1  0  0  0  0
 10 11  1  0  0  0  0
  7 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
 11 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  3  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004342-3D
FYIcenter.com

 39 41  0  0  1  0  0  0  0  0999 V2000
    1.0821    0.9653   -1.8283 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3418    0.9351   -1.8773 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8602    0.8987   -1.9365 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3963   -0.3977   -1.3514 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9403   -0.4644   -1.3920 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4162   -1.8043   -0.8053 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3731   -1.8238    0.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1532   -0.6578    1.3542 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.6484   -0.9767    1.4086 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5086   -0.6864    0.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8707   -0.9735    0.4048 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3868   -1.5617    1.5506 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5537   -1.8709    2.6207 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1883   -1.5811    2.5533 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8968    0.6781    0.6746 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1795    1.8697    1.3668 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1030    3.1062    0.7269 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8176    3.1641   -0.6305 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5739    1.9877   -1.3352 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5221    0.7441   -0.6760 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1564    1.7725   -1.3534 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1776    1.0293   -2.9763 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9795   -1.2462   -1.9113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0272   -0.5012   -0.3228 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2587   -0.4392   -2.4428 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4367   -2.0103   -1.1458 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8002   -2.6262   -1.1935 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7534   -2.7880    1.0833 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264   -1.7738    1.0495 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7898   -0.5617    2.3880 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1331   -0.2162   -0.5706 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5186   -0.7267   -0.4325 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4519   -1.7854    1.6108 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9624   -2.3319    3.5155 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5501   -1.8250    3.4007 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4809    1.8341    2.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2960    4.0199    1.2817 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7600    4.1236   -1.1377 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3351    2.0600   -2.3948 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  3  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 21  1  0  0  0  0
  3 22  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  1  0  0  0  0
  6 26  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 15  1  0  0  0  0
  8 30  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 31  1  0  0  0  0
 11 12  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  2  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 34  1  0  0  0  0
 14 35  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 36  1  0  0  0  0
 17 18  1  0  0  0  0
 17 37  1  0  0  0  0
 18 19  2  0  0  0  0
 18 38  1  0  0  0  0
 19 20  1  0  0  0  0
 19 39  1  0  0  0  0
M  END
$$$$

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2023-09-07, 2283👍, 0💬