Molecule FYI-1006363

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A

Molecule Summary:

ID: FYI-1006363
Names:
InChIKey: WWKZWKKEYNZSQL-SNVBAGLBSA-N
SMILES: NC(=O)[C@@H]2CCCN(c1ccccc1)C2

Received at FYIcenter.com on: 2023-12-11

Molecule ID: FYI-1006363 Edit

Molecule Structure InChIKey: WWKZWKKEYNZSQL-SNVBAGLBSA-N

Molecule Structure SMILES String: NC(=O)[C@@H]2CCCN(c1ccccc1)C2

Download SDF Download SVG Structure in 2D SDF:

FYI-1006363
FYIcenter.com

 15 16  0  0  1  0  0  0  0  0999 V2000
    7.1250    0.6856    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1250    2.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3125    2.7424    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9376    2.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9376    4.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500    4.7992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625    4.1136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5625    2.7424    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3751    2.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1876    2.7424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1876    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3751    0.6856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7500    2.0568    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  2  1  1  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  2  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15  8  1  0  0  0  0
 15  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006363-3D
FYIcenter.com

 31 32  0     1  0  0  0  0  0999 V2000
   -1.8076   -1.4867   -0.9602 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0282    0.5383    0.0873 N   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8821   -1.5900    0.0298 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2806    0.0214    0.8367 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7352    1.3631    0.2642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7912    0.0091    1.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8261    1.8348   -0.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3596    1.8473   -0.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3720    0.1478    0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6103   -1.0894   -0.1192 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3803    1.1092    0.1082 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7024   -1.2027   -0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7192    0.7203    0.0632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0411   -1.5919   -0.1136 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0495   -0.6305   -0.0477 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8383   -0.1653    1.7645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7231    2.1140    1.0644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7678    1.3056   -0.1000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6221    0.6328    2.0765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4964   -1.0115    1.4622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9516    1.1800   -1.7374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1253    2.8403   -1.1837 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2380    2.1060   -1.3277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1970    2.6234    0.3136 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1601    2.1680    0.2113 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9329   -1.9672   -0.1351 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5311   -1.2341    0.7243 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2192   -2.3404   -0.5641 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5048    1.4683    0.1181 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2985   -2.6433   -0.2030 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0919   -0.9335   -0.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 27  1  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 10  1  0  0  0  0
  4 16  1  0  0  0  0
  5  7  1  0  0  0  0
  5 17  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 25  1  0  0  0  0
 12 14  2  0  0  0  0
 12 26  1  0  0  0  0
 13 15  2  0  0  0  0
 13 29  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-12-29, 1323👍, 0💬