Molecule FYI-1008721

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A

Molecule Summary:

ID: FYI-1008721
Names:
InChIKey: QHBXYIUIBRRQCW-UHFFFAOYSA-N
SMILES: COc1ncccc1C(=O)NC(C)C

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

Molecule ID: FYI-1008721 Edit

Molecule Structure InChIKey: QHBXYIUIBRRQCW-UHFFFAOYSA-N

Molecule Structure SMILES String: COc1ncccc1C(=O)NC(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1008721
FYIcenter.com

 14 14  0  0  0  0  0  0  0  0999 V2000
    2.4249    0.7000    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    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 O   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
    1.2124    2.8000    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    2.1000    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  4  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  8  3  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1008721-3D
FYIcenter.com

 28 28  0     0  0  0  0  0  0999 V2000
   -1.5984   -1.7713    0.0128 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8678   -1.4082    0.9437 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9302    0.3920   -0.0607 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8714    0.1432   -0.2259 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2754   -0.1144    0.0645 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2599    1.0351    0.2365 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6369   -0.9754   -1.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8243   -0.3093    0.3969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4941    0.3363    0.1690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6523   -0.4017   -0.0149 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5934    1.7228    0.1343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8305    2.3204   -0.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9289    1.4937   -0.2531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8256   -2.4633   -0.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3219   -0.7437    0.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8050    1.2459   -0.5952 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2512    1.7010   -0.6338 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0032    1.6377    1.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2802    0.6606    0.3690 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5869   -0.3979   -2.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9457   -1.8194   -1.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6500   -1.3791   -1.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2640    2.3692    0.2968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9332    3.3992   -0.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9164    1.9102   -0.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6174   -3.5362   -0.1341 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2457   -2.2476   -1.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5436   -2.2236    0.6081 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 14  1  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  8  1  0  0  0  0
  3 16  1  0  0  0  0
  4 10  1  0  0  0  0
  4 13  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 15  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 23  1  0  0  0  0
 12 13  1  0  0  0  0
 12 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 26  1  0  0  0  0
 14 27  1  0  0  0  0
 14 28  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-04-29, 220👍, 0💬