Molecule FYI-1007357

A

Molecule Summary:

ID: FYI-1007357
Names:
InChIKey: XVLBDPMDDZHXSU-UHFFFAOYSA-N
SMILES: CC(C)Cc1ccc(C(C)C(N)=O)cc1C(=O)c2ccccc2

Received at FYIcenter.com on: 2024-02-16

Molecule ID: FYI-1007357 Edit

Molecule Structure InChIKey: XVLBDPMDDZHXSU-UHFFFAOYSA-N

Molecule Structure SMILES String: CC(C)Cc1ccc(C(C)C(N)=O)cc1C(=O)c2ccccc2

Download SDF Download SVG Structure in 2D SDF:

FYI-1007357
FYIcenter.com

 23 24  0  0  0  0  0  0  0  0999 V2000
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14  8  1  0  0  0  0
 15 14  2  0  0  0  0
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 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007357-3D
FYIcenter.com

 46 47  0  0  1  0  0  0  0  0999 V2000
    2.7712    2.3840   -0.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1803    1.0977    0.0396 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1272    0.0073   -1.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8520    0.6201    1.3509 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3671    0.5115    1.3830 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0683    1.6994    1.6822 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4605    1.7450    1.7334 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2165    0.5978    1.4853 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7374    0.6565    1.4444 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.2090    1.6297    0.3566 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3671    1.0213    2.7911 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2554    0.0761    3.7688 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9845    2.0605    3.0088 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5336   -0.6067    1.2382 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1209   -0.6656    1.1705 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4879   -2.0130    0.9978 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4710   -2.2889    1.6296 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0865   -3.0871    0.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8035   -2.8201   -1.0192 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2987   -3.8710   -1.7950 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0692   -5.1949   -1.4167 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3589   -5.4716   -0.2539 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8675   -4.4221    0.5275 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1724    2.7341   -1.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7933    2.2351   -0.9035 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7775    3.1852    0.2053 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1207   -0.2261   -1.4210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5001    0.3301   -1.8679 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6857   -0.9105   -0.6267 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3763   -0.3092    1.6753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5644    1.3316    2.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5183    2.6188    1.8811 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9451    2.6937    1.9601 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1281   -0.3353    1.1778 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8850    2.6579    0.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8192    1.3403   -0.6252 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3029    1.6447    0.2973 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5651   -0.6606    3.7262 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6351    0.3168    4.6762 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1189   -1.5153    1.1103 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9749   -1.7967   -1.3511 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1709   -6.5027    0.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3015   -4.6509    1.4297 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 27  1  0  0  0  0
  3 28  1  0  0  0  0
  3 29  1  0  0  0  0
  3 30  1  0  0  0  0
  4  5  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 15  2  0  0  0  0
  6  7  2  0  0  0  0
  6 33  1  0  0  0  0
  7  8  1  0  0  0  0
  7 34  1  0  0  0  0
  8  9  1  0  0  0  0
  8 14  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
 10 36  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 12 39  1  0  0  0  0
 12 40  1  0  0  0  0
 14 15  1  0  0  0  0
 14 41  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 23  2  0  0  0  0
 19 20  2  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  2  0  0  0  0
 21 44  1  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-02-28, 190👍, 0💬