Molecule FYI-1014224

A

Molecule Summary:

ID: FYI-1014224
Names:
InChIKey: YYNRZIFBTOUICE-UHFFFAOYSA-N
SMILES: c4ccc(c1nn[nH]n1)c(Nc3cccc2CCCCc23)c4

Received at FYIcenter.com on: 2025-03-12

Molecule ID: FYI-1014224 Edit

Molecule Structure InChIKey: YYNRZIFBTOUICE-UHFFFAOYSA-N

Molecule Structure SMILES String: c4ccc(c1nn[nH]n1)c(Nc3cccc2CCCCc23)c4

Download SDF Download SVG Structure in 2D SDF:

FYI-1014224
FYIcenter.com

 22 25  0  0  0  0  0  0  0  0999 V2000
    8.4870    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746    2.1000    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
    7.2746    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    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    2.8000    0.0000 N   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
    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    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
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798    5.0229    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5125    6.3544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9125    6.3544    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451    5.0229    0.0000 N   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  2  0  0  0  0
  6  5  1  0  0  0  0
  6  1  1  0  0  0  0
  7  5  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
 10  4  1  0  0  0  0
 11 10  1  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  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 12  1  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
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014224-3D
FYIcenter.com

 39 42  0     0  0  0  0  0  0999 V2000
   -0.1683   -0.1737   -0.1346 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7466    1.8675   -0.1368 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7860    1.7192    0.9863 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3690    3.0089    0.4559 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2133    2.9673    1.1331 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4034    1.6833   -1.7952 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1078    1.2936   -1.0863 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5532    1.7575   -0.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2694    0.1159   -0.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7991    0.3901   -0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5354   -0.2845    0.3083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1243   -0.5567    0.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6323   -1.3731    1.1883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2337   -1.6303    1.1782 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4873   -2.0403    1.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3586   -0.8964   -0.3241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6057   -0.2954   -0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2761   -2.2399   -0.6901 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7703   -1.0379   -0.3491 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4407   -2.9823   -0.8854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7234    1.0886    0.2234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6878   -2.3814   -0.7148 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6398    0.9475   -2.5745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2730    2.6497   -2.2949 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3632    1.0759   -1.8611 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7467    2.1480   -0.4999 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3168    2.4937   -0.0202 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4660    2.1005   -1.2989 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4933    0.5123    0.6761 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2806   -0.2681   -0.8983 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6051   -1.7059    1.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3601   -2.1506    1.5609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2545    0.8197   -0.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5743   -2.8749    2.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3217   -2.7310   -0.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7569   -0.6001   -0.2170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3768   -4.0268   -1.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5943   -2.9600   -0.8668 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9256    3.8548    0.3958 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 16  1  0  0  0  0
  1 33  1  0  0  0  0
  2  4  1  0  0  0  0
  2 21  2  0  0  0  0
  3  5  2  0  0  0  0
  3 21  1  0  0  0  0
  4  5  1  0  0  0  0
  4 39  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  9  1  0  0  0  0
  7 25  1  0  0  0  0
  7 26  1  0  0  0  0
  8 10  1  0  0  0  0
  8 27  1  0  0  0  0
  8 28  1  0  0  0  0
  9 11  2  0  0  0  0
  9 12  1  0  0  0  0
 10 11  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
 11 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 15  2  0  0  0  0
 13 31  1  0  0  0  0
 14 15  1  0  0  0  0
 14 32  1  0  0  0  0
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17 19  2  0  0  0  0
 17 21  1  0  0  0  0
 18 20  1  0  0  0  0
 18 35  1  0  0  0  0
 19 22  1  0  0  0  0
 19 36  1  0  0  0  0
 20 22  2  0  0  0  0
 20 37  1  0  0  0  0
 22 38  1  0  0  0  0
M  END
$$$$

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2025-04-11, 1141👍, 0💬