Molecule FYI-1007751

A

Molecule Summary:

ID: FYI-1007751
Names:
InChIKey: UBQNVKYUEUICQM-UHFFFAOYSA-N
SMILES: CCn1nccc1CN(C)C(=O)CCNC(=O)c2cc(C#N)ccc2OC

Received at FYIcenter.com on: 2024-03-14

Molecule ID: FYI-1007751 Edit

Molecule Structure InChIKey: UBQNVKYUEUICQM-UHFFFAOYSA-N

Molecule Structure SMILES String: CCn1nccc1CN(C)C(=O)CCNC(=O)c2cc(C#N)ccc2OC

Download SDF Download SVG Structure in 2D SDF:

FYI-1007751
FYIcenter.com

 27 28  0  0  0  0  0  0  0  0999 V2000
    9.4905    2.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    1.5986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    2.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    1.5986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3402    2.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3402    3.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526    4.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7650    5.0986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.1277    4.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9153    3.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    4.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7029    5.7986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4905    3.6986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2779    4.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0655    3.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    4.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8531    5.7986    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    3.6986    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    2.2986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    4.3986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    3.6986    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    4.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    2.0152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    2.3063    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1098    1.3694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8186    0.0000    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  3  0  0  0  0
  9  6  1  0  0  0  0
 10  9  2  0  0  0  0
 10  3  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  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 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 22  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 25 21  1  0  0  0  0
 26 25  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007751-3D
FYIcenter.com

 50 51  0  0  0  0  0  0  0  0999 V2000
    0.1262   -6.2032    1.0635 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1951   -5.2989    2.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4881   -4.6617    2.4640 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4135   -5.3306    3.1886 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4225   -4.4706    3.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1762   -3.2705    2.6217 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9266   -3.4230    2.0481 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1743   -2.5237    1.1297 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8769   -1.2493    1.7763 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8041   -0.1443    1.5773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3159   -1.1229    2.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0559   -2.0857    2.6897 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6980    0.2775    2.9352 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9419    0.2508    3.8212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3919    1.5870    4.1871 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0969    2.3721    3.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3552    2.0066    2.1516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4733    3.7355    3.7516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4922    4.4570    4.4645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6752    5.8084    4.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6413    6.5316    5.4657 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7935    7.1034    6.0184 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8433    6.4542    4.3850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8224    5.7455    3.6858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6586    4.3858    3.3705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6833    3.8928    2.6100 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2072    2.6200    2.9733 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7234   -6.8892    1.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345   -6.8023    0.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0166   -5.6168    0.1504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0067   -5.8895    3.1880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5780   -4.5298    2.2407 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2956   -4.7609    3.8736 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8295   -2.4146    2.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2421   -2.9789    0.7832 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7723   -2.3298    0.2305 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7133   -0.4764    1.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0815    0.2773    2.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3155    0.6284    0.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8854    0.8804    2.0391 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1260    0.7361    3.4905 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7288   -0.2845    4.7534 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7704   -0.2632    3.3212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2336    1.8980    5.1364 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5427    3.9873    4.7194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9905    7.5134    4.5879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7223    6.2644    3.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2482    2.5875    2.6322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2045    2.4544    4.0552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6874    1.8167    2.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5 33  1  0  0  0  0
  6  7  2  0  0  0  0
  6 34  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 37  1  0  0  0  0
 10 38  1  0  0  0  0
 10 39  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 40  1  0  0  0  0
 13 41  1  0  0  0  0
 14 15  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 15 16  1  0  0  0  0
 15 44  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  2  0  0  0  0
 19 20  2  0  0  0  0
 19 45  1  0  0  0  0
 20 21  1  0  0  0  0
 20 23  1  0  0  0  0
 21 22  3  0  0  0  0
 23 24  2  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 48  1  0  0  0  0
 27 49  1  0  0  0  0
 27 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 1500👍, 0💬