Molecule FYI-1016300

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A

Molecule Summary:

ID: FYI-1016300
Names:
InChIKey: RVNCOHMBBUBJKT-UHFFFAOYSA-N
SMILES: C=C(C)C2CC=C(CNC(C)c1ccccc1)CC2

Received at FYIcenter.com on: 2025-12-03

Molecule ID: FYI-1016300 Edit

Molecule Structure InChIKey: RVNCOHMBBUBJKT-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(C)C2CC=C(CNC(C)c1ccccc1)CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1016300
FYIcenter.com

 42 43  0  0  0  0  0  0  0  0999 V2000
    9.7669    2.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5461    2.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5461    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3252    4.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1043    4.2292    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.2087    0.7049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8835    4.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8835    6.3438    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6626    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4417    4.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2209    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2209    2.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6626    2.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7669    4.9341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9878    4.2292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9878    2.8195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2087    2.1146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   12.8663    3.9586    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
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 19 40  1  0  0  0  0
  6 41  1  0  0  0  0
  6 42  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016300-3D
FYIcenter.com

 44 45  0  0  1  0  0  0  0  0999 V2000
    1.1329    0.4152    0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3979   -0.0004    0.0935 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2508   -0.2705    1.3124 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1006   -0.1731   -1.2639 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5957   -1.6187   -1.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4990   -2.5455   -1.9429 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3852   -2.1270   -2.5660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2376   -3.0643   -2.8505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0390   -3.1586   -4.2802 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1070   -4.1212   -4.5943 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.4632   -3.7431   -3.9791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2593   -4.2589   -6.1051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1051   -5.5085   -6.7246 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2935   -5.6493   -8.1023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6343   -4.5437   -8.8789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7766   -3.2938   -8.2820 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1796   -0.6702   -2.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3248    0.2713   -2.5228 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7092    0.5257    1.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4688    0.6668   -0.5449 H   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2025-12-09, 607👍, 0💬