Molecule FYI-1014466

A

Molecule Summary:

ID: FYI-1014466
Names:
InChIKey: OBHDQBBLNOOELD-UHFFFAOYSA-N
SMILES: CCC(C)N3CCC(OC(=O)c2ccc1cccnc1c2)CC3

Received at FYIcenter.com on: 2025-04-20

Molecule ID: FYI-1014466 Edit

Molecule Structure InChIKey: OBHDQBBLNOOELD-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)N3CCC(OC(=O)c2ccc1cccnc1c2)CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1014466
FYIcenter.com

 23 25  0  0  0  0  0  0  0  0999 V2000
   14.5492    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4870    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    0.0000 O   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
    6.0621    4.2000    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
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    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
    1.2124    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.0000    0.0000 C   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
   12.1242    6.3000    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  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  2  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 20 15  1  0  0  0  0
 21 16  1  0  0  0  0
 22 21  2  0  0  0  0
 22 13  1  0  0  0  0
  3 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014466-3D
FYIcenter.com

 47 49  0  0  1  0  0  0  0  0999 V2000
    2.8478   -1.6543   -1.5343 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3286   -0.4986   -0.6893 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9693    0.8763   -1.0099 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.2986    1.9405   -0.1189 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4555    0.8864   -0.9642 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0075    2.2113   -1.3004 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5353    2.2132   -1.3643 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1387    1.7099   -0.0531 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8239    2.6015    1.0388 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6043    3.7012    1.1764 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5643    3.9865    0.4741 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1228    4.5755    2.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8024    5.7719    2.5356 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3254    6.6551    3.5045 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1621    6.3478    4.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6175    7.2299    5.1742 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4538    6.8851    5.8501 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8794    5.6607    5.5691 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3769    4.7840    4.6688 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4911    5.1261    4.0026 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880    4.2583    3.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5519    0.3388    0.2613 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0213    0.3718    0.2903 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3377   -2.5800   -1.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9202   -1.8163   -1.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.2447   -0.4279   -0.8527 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.5481    1.8008    0.9376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2080    1.8900   -0.2114 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5821    2.9570   -0.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7025    2.9655   -0.5664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6252    2.5323   -2.2774 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8753    3.2327   -1.5770 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8699    1.5771   -2.1934 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2295    1.6144   -0.1434 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6948    6.0305    1.9666 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8564    7.5901    3.6803 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0877    8.1897    5.3767 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0033    7.5549    6.5754 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.8878   -0.3857   -0.4932 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6805    0.9605    1.1491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6970   -0.6606    0.4601 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 24  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  2  3  1  0  0  0  0
  2 27  1  0  0  0  0
  2 28  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 29  1  0  0  0  0
  4 30  1  0  0  0  0
  4 31  1  0  0  0  0
  4 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  7 35  1  0  0  0  0
  7 36  1  0  0  0  0
  8  9  1  0  0  0  0
  8 22  1  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  2  0  0  0  0
 13 14  2  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 40  1  0  0  0  0
 17 18  1  0  0  0  0
 17 41  1  0  0  0  0
 18 19  2  0  0  0  0
 18 42  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 43  1  0  0  0  0
 22 23  1  0  0  0  0
 22 44  1  0  0  0  0
 22 45  1  0  0  0  0
 23 46  1  0  0  0  0
 23 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-04-26, 1265👍, 0💬