Molecule FYI-1009519

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A

Molecule Summary:

ID: FYI-1009519
Names:
InChIKey: CKZYWFLMBLBLJU-UHFFFAOYSA-N
SMILES: CN2C(=O)NC1C=CC=C(N)C12

Received at FYIcenter.com on: 2024-05-13

Molecule ID: FYI-1009519 Edit

Molecule Structure InChIKey: CKZYWFLMBLBLJU-UHFFFAOYSA-N

Molecule Structure SMILES String: CN2C(=O)NC1C=CC=C(N)C12

Download SDF Download SVG Structure in 2D SDF:

FYI-1009519
FYIcenter.com

 12 13  0  0  0  0  0  0  0  0999 V2000
    3.4281    4.7554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    4.0553    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9368    4.6248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6457    5.9942    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.5844    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.3719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2674    1.0405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2042    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5736    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0062    1.6226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3756    1.9137    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0694    2.6630    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  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  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 10  1  0  0  0  0
 12  2  1  0  0  0  0
 12  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009519-3D
FYIcenter.com

 23 24  0  0  1  0  0  0  0  0999 V2000
    1.0836    0.0996   -0.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8184   -0.4994   -1.5498 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4618   -1.8046   -1.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3502   -2.2125   -2.2669 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6490   -2.5701   -2.0569 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6565   -1.8375   -1.3691 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.0869   -2.0936   -1.6795 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9357   -1.0671   -1.4710 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4597    0.2345   -0.9931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1564    0.6060   -1.0764 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6786    1.8599   -0.7530 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2518   -0.4154   -1.7203 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6542   -0.0097    0.4697 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1217   -0.4051   -0.3290 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9098    1.1550   -0.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7600   -3.2551   -2.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5010   -2.0430   -0.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4275   -3.0791   -1.9631 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0074   -1.1910   -1.6155 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2091    0.9172   -0.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3994    2.5808   -0.7609 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8758    2.1297   -1.3145 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3685   -0.2605   -2.8081 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  6 17  1  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
$$$$

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2024-05-16, 185👍, 0💬