Molecule FYI-1002522

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A

Molecule Summary:

ID: FYI-1002522
Names:
InChIKey: VQECHRQHFMUVRS-UHFFFAOYSA-N
SMILES: c3ccc(CC(Cc1ccccc1)N2CCCC2)cc3

Received at FYIcenter.com on: 2023-04-07

Molecule ID: FYI-1002522 Edit

Molecule Structure InChIKey: VQECHRQHFMUVRS-UHFFFAOYSA-N

Molecule Structure SMILES String: c3ccc(CC(Cc1ccccc1)N2CCCC2)cc3

Download SDF Download SVG Structure in 2D SDF:

FYI-1002522
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    4.1499    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5498    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9824    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1543    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7171    1.3314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    1.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4543    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1543    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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  1  1  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  8  1  0  0  0  0
 14  6  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  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
 20 15  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002522-3D
FYIcenter.com

 43 45  0     0  0  0  0  0  0999 V2000
   -2.8119    0.0358   -0.3375 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3770    0.0706   -0.0959 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4308   -1.1957    0.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5200    1.1157    0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9134   -0.8535    0.1581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9720    0.6658    0.2839 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7324   -1.1243   -0.8351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8682    1.4508   -0.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5975   -1.5825   -0.2861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5942    1.7250   -0.3103 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5430   -2.1559   -1.1363 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9916    2.3229    0.8856 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8803   -1.4323    1.0714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5476    1.3803   -1.2682 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7715   -2.5792   -0.6289 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3426    2.5761    1.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1087   -1.8556    1.5788 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985    1.6336   -1.0303 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0543   -2.4291    0.7286 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2960    2.2315    0.1656 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2310    0.0165    0.9852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1038   -1.4479    1.1691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2844   -2.0635   -0.4963 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4341    2.0862   -0.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2111    1.2174    1.3974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4357   -1.3480    0.9834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3919   -1.1654   -0.7778 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4746    1.0903   -0.5933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5291    0.9773    1.1733 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6287   -0.8713   -1.8990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3375   -2.0333   -0.8059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3989    2.2763   -0.0814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0668    1.5774   -1.6423 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3341   -2.2791   -2.1956 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2590    2.5925    1.6416 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1729   -1.0374    1.7895 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2520    0.9237   -2.2089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5077   -3.0258   -1.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6522    3.0403    2.0554 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3262   -1.7477    2.6375 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6407    1.3660   -1.7766 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0100   -2.7603    1.1241 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3479    2.4281    0.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  2 21  1  0  0  0  0
  3  5  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  6  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 26  1  0  0  0  0
  5 27  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  9  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8 10  1  0  0  0  0
  8 32  1  0  0  0  0
  8 33  1  0  0  0  0
  9 11  2  0  0  0  0
  9 13  1  0  0  0  0
 10 12  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 11 34  1  0  0  0  0
 12 16  1  0  0  0  0
 12 35  1  0  0  0  0
 13 17  2  0  0  0  0
 13 36  1  0  0  0  0
 14 18  2  0  0  0  0
 14 37  1  0  0  0  0
 15 19  2  0  0  0  0
 15 38  1  0  0  0  0
 16 20  2  0  0  0  0
 16 39  1  0  0  0  0
 17 19  1  0  0  0  0
 17 40  1  0  0  0  0
 18 20  1  0  0  0  0
 18 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 43  1  0  0  0  0
M  END
$$$$

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2023-04-13, 2647👍, 0💬