Molecule FYI-1009282

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A

Molecule Summary:

ID: FYI-1009282
Names:
InChIKey: JBUJZLUPJFCBSR-UHFFFAOYSA-N
SMILES: CCCN(C(=O)c2ccc1[nH]ccc1c2)C3CCNC3

Received at FYIcenter.com on: 2024-05-05

Molecule ID: FYI-1009282 Edit

Molecule Structure InChIKey: JBUJZLUPJFCBSR-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCN(C(=O)c2ccc1[nH]ccc1c2)C3CCNC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009282
FYIcenter.com

 20 22  0  0  0  0  0  0  0  0999 V2000
    9.5274    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3150    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1026    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    3.6158    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8902    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7575    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1902    0.0615    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5902    0.0615    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0228    1.3929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    4.3158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6777    5.7158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4653    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    1.5158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    2.2158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2790    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5694    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    0.1464    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    3.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2529    4.3158    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
  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
  9  5  1  0  0  0  0
 10  4  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  2  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 18 14  1  0  0  0  0
 19 15  1  0  0  0  0
 20 19  2  0  0  0  0
 20 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009282-3D
FYIcenter.com

 41 43  0     1  0  0  0  0  0999 V2000
    1.3397   -1.7487    0.5733 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6299    0.3709   -0.3685 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8358   -0.3714    1.0645 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6873   -0.4852   -0.3954 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0601    0.4023   -0.2394 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.7465   -0.7359   -0.9931 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5195    0.2468    1.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6647   -1.3891    0.0304 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0230    1.5554   -0.9720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8632   -0.7286    0.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6539    2.6103    0.0642 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5801   -0.6926   -0.1204 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0010    3.8386   -0.5537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3870   -0.1645    0.8939 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1433   -1.1841   -1.2964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7843   -0.1334    0.7146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3207   -0.6323   -0.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5265   -1.1633   -1.4968 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8759    0.3170    1.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0323    0.0878    0.7992 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4493    1.3534   -0.6275 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3413   -0.3150   -1.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0622   -1.4650   -1.4389 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8731   -0.3828    1.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5950    1.2185    1.7022 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1909   -2.2827    0.4535 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6229   -1.6837   -0.4071 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1326   -0.7937    1.9424 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1270    1.2731   -1.5325 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7119    1.9704   -1.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0167    2.1999    0.8232 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5585    2.9254    0.5988 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6671    4.3102   -1.2830 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9313    3.5706   -1.0608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2320    4.5753    0.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9481    0.2083    1.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5070   -1.5926   -2.0788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9639   -1.5458   -2.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8223    0.7617    2.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3405   -0.7606   -1.1157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0685    0.2811    1.0381 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 10  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 28  1  0  0  0  0
  4 17  1  0  0  0  0
  4 20  1  0  0  0  0
  4 40  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 11  1  0  0  0  0
  9 29  1  0  0  0  0
  9 30  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 31  1  0  0  0  0
 11 32  1  0  0  0  0
 12 14  2  0  0  0  0
 12 15  1  0  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 13 35  1  0  0  0  0
 14 16  1  0  0  0  0
 14 36  1  0  0  0  0
 15 18  2  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 38  1  0  0  0  0
 19 20  2  0  0  0  0
 19 39  1  0  0  0  0
 20 41  1  0  0  0  0
M  END
$$$$

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2024-05-15, 160👍, 0💬