Molecule FYI-1009417

A

Molecule Summary:

ID: FYI-1009417
Names:
InChIKey: JIDUWMDLNRAUMS-UHFFFAOYSA-N
SMILES: Cn1ccnc1CNC3C=CC=C(OC2C=CC=CC2C(N)=O)C3

Received at FYIcenter.com on: 2024-05-09

Molecule ID: FYI-1009417 Edit

Molecule Structure InChIKey: JIDUWMDLNRAUMS-UHFFFAOYSA-N

Molecule Structure SMILES String: Cn1ccnc1CNC3C=CC=C(OC2C=CC=CC2C(N)=O)C3

Download SDF Download SVG Structure in 2D SDF:

FYI-1009417
FYIcenter.com

 24 26  0  0  0  0  0  0  0  0999 V2000
    7.6322    6.4611    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3411    7.8306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2780    8.8709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5780   10.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2085    9.7922    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.3999    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    8.3999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.6999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.2999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 O   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
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 C   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
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    6.2999    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
  6  2  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
 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
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 20 15  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 13  1  0  0  0  0
 24  9  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009417-3D
FYIcenter.com

 46 48  0  0  1  0  0  0  0  0999 V2000
    0.1111    2.5093    4.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4552    3.0875    3.0245 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6316    3.7818    2.9646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7926    4.0999    1.6404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7658    3.5879    0.8980 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0811    3.0454    1.7578 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4591    2.5135    1.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9666    2.8255    0.1010 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9209    4.2619   -0.2272 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5186    4.5339   -1.5903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8055    5.8002   -1.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5800    6.8829   -1.0006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5065    6.6453    0.3216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1978    7.6749    1.1902 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7978    7.6413    2.4992 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4921    8.9757    2.6662 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0139    9.9579    3.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7546    9.8185    4.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1357    8.6325    4.2181 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7065    7.3846    3.5733 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2674    6.5028    4.6916 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3871    6.9518    5.3382 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7508    5.4411    5.0324 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5569    5.2154    0.8210 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.1556    1.4251    4.0840 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5906    4.6679    1.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4340    1.4220    1.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1805    2.8713    2.1976 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3138    2.3754   -0.5442 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8720    4.5499   -0.3517 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6406    3.7219   -2.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1618    6.0459   -2.9348 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4525    7.8855   -1.3943 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5743    6.8662    2.5497 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4120    9.1211    2.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5420   10.9029    3.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3304   10.7040    4.6046 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1897    8.5444    4.7446 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8729    6.8357    3.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7146    7.9062    5.2267 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0151    5.1359    1.7663 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6026    4.9381    1.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  3  4  2  0  0  0  0
  3 28  1  0  0  0  0
  4  5  1  0  0  0  0
  4 29  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 33  1  0  0  0  0
 10 11  2  0  0  0  0
 10 34  1  0  0  0  0
 11 12  1  0  0  0  0
 11 35  1  0  0  0  0
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 12 36  1  0  0  0  0
 13 14  1  0  0  0  0
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 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  1  0  0  0  0
 15 37  1  0  0  0  0
 16 17  2  0  0  0  0
 16 38  1  0  0  0  0
 17 18  1  0  0  0  0
 17 39  1  0  0  0  0
 18 19  2  0  0  0  0
 18 40  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
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 21 22  1  0  0  0  0
 21 23  2  0  0  0  0
 22 43  1  0  0  0  0
 22 44  1  0  0  0  0
 24 45  1  0  0  0  0
 24 46  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-15, 1222👍, 0💬