Molecule FYI-1005118

Home > Molecule

A

Molecule Summary:

ID: FYI-1005118
Names:
InChIKey: SBALADRDZPFHLM-UHFFFAOYSA-N
SMILES: CCCCCCCCCCCCc2cc(=O)c1ccccc1n2O

Received at FYIcenter.com on: 2023-10-15

Molecule ID: FYI-1005118 Edit

Molecule Structure InChIKey: SBALADRDZPFHLM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCCCCCCCCCc2cc(=O)c1ccccc1n2O

Download SDF Download SVG Structure in 2D SDF:

FYI-1005118
FYIcenter.com

 24 25  0  0  0  0  0  0  0  0999 V2000
   18.1866    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7617    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 O   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
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 22  1  0  0  0  0
 23 13  1  0  0  0  0
 24 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005118-3D
FYIcenter.com

 55 56  0     0  0  0  0  0  0999 V2000
   -3.0514    1.7103   -1.2349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5257   -2.6365    0.9397 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7045    0.6168   -0.6726 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3021   -0.2909   -0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4721   -0.0898    0.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9398   -0.3323   -0.1116 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8371   -0.0737   -0.5319 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7709   -0.5459   -1.0799 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9687    0.1170    0.4807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5984   -0.5125   -0.3919 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3365    0.1013   -0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7597   -0.7360   -1.3631 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4655    0.3247    0.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0967   -0.6343   -0.7109 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8341    0.2758    0.1250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6627   -1.7373   -0.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9780    0.7911   -0.0716 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6407   -0.3118    0.4977 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9605    0.4640    1.1288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9930   -1.6442    0.4591 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6096    2.0429   -0.0247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8971   -0.1692    1.0967 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8641    2.1868    0.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5056    1.0836    1.1321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4506   -1.2266   -1.3618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3049    0.5185   -1.5490 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4567   -0.8913    0.9088 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3295    0.8531    0.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7888    0.6079    0.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9383   -1.1354    0.6354 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9822   -1.0157   -1.0742 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8634    0.7342   -1.2729 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8976   -1.5091   -1.5893 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8002    0.2299   -1.8550 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8313    1.0688    1.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9274   -0.6791    1.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7179    0.4561    0.1098 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6234   -1.2782    0.3938 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3728    0.8822   -0.9733 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4803   -0.8601   -0.7120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6439   -1.7318   -1.8138 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6823   -0.0444   -2.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3331    1.2953    1.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4164   -0.4438    1.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8982    1.0580   -0.6403 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9644   -0.6868   -0.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1845   -2.7099   -0.2206 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8779    1.4316    1.6340 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9444   -0.3235    1.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9298    0.4270    0.6220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1361    2.9235   -0.4517 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4127   -1.0176    1.5376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5671    2.0692   -0.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3406    3.1626    0.6019 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4808    1.2006    1.5957 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  1  0  0  0  0
  1 53  1  0  0  0  0
  2 20  2  0  0  0  0
  3 14  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 25  1  0  0  0  0
  4 26  1  0  0  0  0
  5  7  1  0  0  0  0
  5 27  1  0  0  0  0
  5 28  1  0  0  0  0
  6  8  1  0  0  0  0
  6 29  1  0  0  0  0
  6 30  1  0  0  0  0
  7  9  1  0  0  0  0
  7 31  1  0  0  0  0
  7 32  1  0  0  0  0
  8 10  1  0  0  0  0
  8 33  1  0  0  0  0
  8 34  1  0  0  0  0
  9 11  1  0  0  0  0
  9 35  1  0  0  0  0
  9 36  1  0  0  0  0
 10 12  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 13  1  0  0  0  0
 11 39  1  0  0  0  0
 11 40  1  0  0  0  0
 12 14  1  0  0  0  0
 12 41  1  0  0  0  0
 12 42  1  0  0  0  0
 13 15  1  0  0  0  0
 13 43  1  0  0  0  0
 13 44  1  0  0  0  0
 14 16  2  0  0  0  0
 15 19  1  0  0  0  0
 15 45  1  0  0  0  0
 15 46  1  0  0  0  0
 16 20  1  0  0  0  0
 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
 17 21  2  0  0  0  0
 18 20  1  0  0  0  0
 18 22  2  0  0  0  0
 19 48  1  0  0  0  0
 19 49  1  0  0  0  0
 19 50  1  0  0  0  0
 21 23  1  0  0  0  0
 21 51  1  0  0  0  0
 22 24  1  0  0  0  0
 22 52  1  0  0  0  0
 23 24  2  0  0  0  0
 23 54  1  0  0  0  0
 24 55  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-27, 1369👍, 0💬