Molecule FYI-1008510

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A

Molecule Summary:

ID: FYI-1008510
Names:
InChIKey: GUQYFHZQKDSSSO-UHFFFAOYSA-N
SMILES: C=CCNc1cccc(C)c1C(=O)NC

Received at FYIcenter.com on: 2024-04-28

Molecule ID: FYI-1008510 Edit

Molecule Structure InChIKey: GUQYFHZQKDSSSO-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CCNc1cccc(C)c1C(=O)NC

Download SDF Download SVG Structure in 2D SDF:

FYI-1008510
FYIcenter.com

 15 15  0  0  0  0  0  0  0  0999 V2000
    1.2124    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    3.5000    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    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  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  6  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
 11  5  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008510-3D
FYIcenter.com

 31 31  0     0  0  0  0  0  0999 V2000
   -1.3742    2.0564    1.2220 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4138   -0.2581    0.2400 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0808    2.1542   -0.7000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0062    0.0426    0.0787 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1145   -0.7881    0.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2794   -0.5032   -0.0853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0382   -2.1646   -0.0911 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4320   -1.8797   -0.2523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3114   -2.7103   -0.2554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8518    1.4838    0.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4989    0.3604   -0.0873 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5877   -1.0728    0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7826   -0.1970    0.4428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1838    3.5742   -0.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7905   -0.0978   -0.4314 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8025   -2.8514   -0.0991 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4997    0.7438    0.3693 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4166   -2.3217   -0.3799 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4308   -3.7821   -0.3850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7081    0.7297    0.9217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3801    1.2081   -0.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3827   -0.1922   -0.4255 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5590   -1.7958    1.0668 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6797   -1.6270   -0.6989 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2966    1.6313   -1.4851 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8379    0.3778    1.3643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5719    4.0839   -1.2550 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1748    3.7553   -1.0746 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1425    3.9402    0.3765 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6352    0.5500   -0.2239 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7925   -0.6543   -1.3621 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 12  1  0  0  0  0
  2 17  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  1  0  0  0  0
  3 25  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 10  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 12 23  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$

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2024-06-03, 1093👍, 0💬