Molecule FYI-1013759

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A

Molecule Summary:

ID: FYI-1013759
Names:
InChIKey: BKSUPNHJNWDPFJ-UHFFFAOYSA-N
SMILES: CCCCC2(c1ccccc1)CC(N(C)C)C2

Received at FYIcenter.com on: 2025-01-24

Molecule ID: FYI-1013759 Edit

Molecule Structure InChIKey: BKSUPNHJNWDPFJ-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCC2(c1ccccc1)CC(N(C)C)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1013759
FYIcenter.com

 17 18  0  0  0  0  0  0  0  0999 V2000
    6.5644    7.2926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5644    5.8926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519    5.1926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3519    3.7926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1395    3.0926    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7873    3.4549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7772    1.7403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    1.4027    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2503    2.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0674    0.8523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1782    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4716    0.5358    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6543    1.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5436    2.7761    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  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  5  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12  5  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
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1013759-3D
FYIcenter.com

 42 43  0  0  1  0  0  0  0  0999 V2000
    5.1870   -1.1659   -2.4496 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4390   -0.6397   -1.2314 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0606   -1.1619    0.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3469   -0.6204    1.3116 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9892   -1.1256    2.6287 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.5179   -0.6021    2.7310 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8394    0.6757    3.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1554    1.1180    3.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2066    0.2948    2.9604 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9312   -0.9602    2.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6088   -1.3934    2.3184 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7243   -2.6454    2.9053 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3413   -2.3217    4.3709 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5157   -2.3671    5.2763 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1011   -1.9700    6.6309 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0574   -3.7285    5.3534 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0871   -0.8651    3.8972 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7312   -0.7869   -3.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1632   -2.2601   -2.4829 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2342   -0.8471   -2.4341 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3872   -0.9395   -1.2929 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4697    0.4566   -1.2423 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1156   -0.8699    0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0358   -2.2586    0.0686 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2928   -0.9246    1.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3533    0.4763    1.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0361    1.3395    3.5460 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3639    2.1016    3.7628 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2337    0.6308    3.0617 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7479   -1.6045    2.1065 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4256   -2.3743    1.8861 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5554   -3.3254    2.7125 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8705   -3.0523    2.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4554   -2.8519    4.7384 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7798   -0.9244    6.6631 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9414   -2.0548    7.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2830   -2.5929    7.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4692   -4.0618    4.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3050   -4.4556    5.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8990   -3.7633    6.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3937   -0.0544    4.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0300   -0.6877    3.6552 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  1  0  0  0  0
  3 23  1  0  0  0  0
  3 24  1  0  0  0  0
  4  5  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  2  0  0  0  0
  7 27  1  0  0  0  0
  8  9  1  0  0  0  0
  8 28  1  0  0  0  0
  9 10  2  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 11 31  1  0  0  0  0
 12 13  1  0  0  0  0
 12 32  1  0  0  0  0
 12 33  1  0  0  0  0
 13 14  1  0  0  0  0
 13 17  1  0  0  0  0
 13 34  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
 17 41  1  0  0  0  0
 17 42  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-02-16, 895👍, 0💬