Molecule FYI-1006016

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A

Molecule Summary:

ID: FYI-1006016
Names:
InChIKey: VPIXQGUBUKFLRF-UHFFFAOYSA-N
SMILES: CNCCCN3c1ccccc1CCc2ccc(Cl)cc23

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

Molecule ID: FYI-1006016 Edit

Molecule Structure InChIKey: VPIXQGUBUKFLRF-UHFFFAOYSA-N

Molecule Structure SMILES String: CNCCCN3c1ccccc1CCc2ccc(Cl)cc23

Download SDF Download SVG Structure in 2D SDF:

FYI-1006016
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    2.9704    6.6920    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.3082    6.2794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6197    4.9145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9575    4.5018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9837    5.4541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6722    6.8190    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3345    7.2317    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3682    5.2454    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0682    4.0330    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5566    2.7297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2189    2.3171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9073    0.9523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9336    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2715    0.4126    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5830    1.7776    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.1057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    3.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.1057    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4058    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  7  2  1  0  0  0  0
  8  5  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 15 10  1  0  0  0  0
 16 11  1  0  0  0  0
 16  4  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
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006016-3D
FYIcenter.com

 42 44  0     0  0  0  0  0  0999 V2000
    3.5836   -3.0428   -1.4244 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.2480    0.2379   -0.3883 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4943    3.1329    1.0534 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6196   -1.8879    1.4150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9723   -0.4728    1.8429 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2946   -1.0556   -0.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6122    0.6281   -0.3958 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6752    1.2951   -0.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3309   -2.0507    0.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4777    0.3056    0.6627 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6222    1.6942    0.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5188   -1.4202   -0.7757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1429    1.3691   -1.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2567   -3.3364    0.7414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8219    0.7179    0.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5879    2.8312   -0.0479 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0923   -2.6872   -0.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4790    1.7733   -1.4990 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4561   -3.6514    0.1145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3195    1.4479   -0.4434 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4423    4.1718    0.6762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4348   -2.3317    0.8283 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5356   -2.4776    2.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1187    0.0431    2.3001 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7497   -0.5206    2.6157 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2029    1.0376   -1.7554 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1468    2.2237   -1.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2131    0.8293    0.6246 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0260    1.9915    1.1742 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0574   -0.7217   -1.4100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5280    1.6143   -2.3382 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0053    3.7241   -0.3047 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1616    2.5417   -0.9371 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2299   -4.1086    1.3353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4918    0.4691    1.4518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8607    2.3349   -2.3465 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8755   -4.6467    0.2297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3597    1.7585   -0.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0050    2.2906    1.3168 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0686    3.8591   -0.1657 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1013    4.3880    1.5228 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9279    5.1022    0.4144 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3 16  1  0  0  0  0
  3 21  1  0  0  0  0
  3 39  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  1  0  0  0  0
  4 22  1  0  0  0  0
  4 23  1  0  0  0  0
  5 10  1  0  0  0  0
  5 24  1  0  0  0  0
  5 25  1  0  0  0  0
  6  9  2  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  7 13  2  0  0  0  0
  8 11  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  2  0  0  0  0
 11 16  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 12 17  2  0  0  0  0
 12 30  1  0  0  0  0
 13 18  1  0  0  0  0
 13 31  1  0  0  0  0
 14 19  2  0  0  0  0
 14 34  1  0  0  0  0
 15 20  1  0  0  0  0
 15 35  1  0  0  0  0
 16 32  1  0  0  0  0
 16 33  1  0  0  0  0
 17 19  1  0  0  0  0
 18 20  2  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 38  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
 21 42  1  0  0  0  0
M  END
$$$$

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2023-12-01, 239👍, 0💬