Molecule FYI-1006499

A

Molecule Summary:

ID: FYI-1006499
Names:
InChIKey: FFBOZGUMWMYECM-UHFFFAOYSA-N
SMILES: CN2C(N(=O)=O)=C(NCc1ccccc1)CC24OC(=O)c3ccccc34

Received at FYIcenter.com on: 2023-12-29

Molecule ID: FYI-1006499 Edit

Molecule Structure InChIKey: FFBOZGUMWMYECM-UHFFFAOYSA-N

Molecule Structure SMILES String: CN2C(N(=O)=O)=C(NCc1ccccc1)CC24OC(=O)c3ccccc34

Download SDF Download SVG Structure in 2D SDF:

FYI-1006499
FYIcenter.com

 26 29  0  0  0  0  0  0  0  0999 V2000
   11.7062    4.7552    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4937    4.0552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2147    4.6247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    3.5843    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5779    4.7968    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1474    6.0757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    4.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1682    5.4425    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4593    6.8118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8367    5.0099    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    3.1133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.4133    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4249    2.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000    2.4133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    8.5453    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4821    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   11.2841    1.6225    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3473    2.6629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  5  1  0  0  0  0
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  9  8  2  0  0  0  0
 10  8  2  0  0  0  0
 11  7  2  0  0  0  0
 12 11  1  0  0  0  0
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 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
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 20  4  1  0  0  0  0
 21  4  1  0  0  0  0
 22 21  2  0  0  0  0
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 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 26 21  1  0  0  0  0
 26  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006499-3D
FYIcenter.com

 43 46  0  0  1  0  0  0  0  0999 V2000
    1.6649    0.6661    1.2404 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7175   -0.3149    1.5309 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7512   -0.4798    2.5656 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8567   -1.8012    3.3402 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1232   -2.8439    2.7045 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7272   -1.7774    4.5683 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9566   -0.4059    1.9582 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2819   -0.7420    2.3510 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0987   -0.2317    3.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4119   -1.0163    3.7054 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6083   -0.3410    4.0473 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8119   -1.0274    4.3078 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8354   -2.4158    4.2734 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6776   -3.1095    3.9783 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4694   -2.4248    3.7160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5311   -0.6219    0.4994 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8801   -1.1848    0.3825 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8592   -1.9415    1.1976 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6668   -3.2499    1.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8383   -3.8977    1.8584 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5943   -3.6316    0.2462 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8056   -4.9300   -0.1661 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6690   -5.0975   -1.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5416   -0.2036    4.4186 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3849    0.7975    3.2241 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6280    0.7434    4.1287 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7168   -0.4793    4.5565 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9255   -6.0946   -1.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8753   -4.1201   -2.7217 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3717   -1.8332   -1.9568 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  2  0  0  0  0
  4  6  2  0  0  0  0
  7  8  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
  9 31  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 15  2  0  0  0  0
 11 12  2  0  0  0  0
 11 33  1  0  0  0  0
 12 13  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  2  0  0  0  0
 13 35  1  0  0  0  0
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 14 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 17 18  1  0  0  0  0
 17 26  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 26  2  0  0  0  0
 22 23  2  0  0  0  0
 22 40  1  0  0  0  0
 23 24  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  2  0  0  0  0
 24 42  1  0  0  0  0
 25 26  1  0  0  0  0
 25 43  1  0  0  0  0
M  END
$$$$

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2024-01-10, 1998👍, 0💬