Molecule FYI-1009156

A

Molecule Summary:

ID: FYI-1009156
Names:
InChIKey: MVDMWLANUKRBLO-UHFFFAOYSA-N
SMILES: CCCCn1c(=O)c2ccc3c(=O)n(CCCC)c(=O)c4ccc(c1=O)c2c34

Received at FYIcenter.com on: 2024-05-02

Molecule ID: FYI-1009156 Edit

Molecule Structure InChIKey: MVDMWLANUKRBLO-UHFFFAOYSA-N

Molecule Structure SMILES String: CCCCn1c(=O)c2ccc3c(=O)n(CCCC)c(=O)c4ccc(c1=O)c2c34

Download SDF Download SVG Structure in 2D SDF:

FYI-1009156
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    4.1494    9.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1494   10.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370   11.5247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7246   10.8247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7246    9.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370    8.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5121    8.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5121    7.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7246    6.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370    7.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1494    6.6247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3619    7.3247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3619    8.7247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7246    5.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370    4.5247    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1494    5.2247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5121   11.5247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3619   11.5247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5121    4.5247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3619    4.5247    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370   12.9247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9370    3.1247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6088   13.3674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3282   14.7390    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   15.1817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7246    2.4247    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4101    1.2040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6958    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  1  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  6 10  2  0  0  0  0
  5  7  2  0  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 10 11  1  0  0  0  0
  1 13  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 11 16  1  0  0  0  0
  9 14  1  0  0  0  0
  4 17  2  0  0  0  0
  2 18  2  0  0  0  0
 14 19  2  0  0  0  0
 16 20  2  0  0  0  0
  3 21  1  0  0  0  0
 15 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 22 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1009156-3D
FYIcenter.com

 50 53  0     0  0  0  0  0  0999 V2000
   -3.3837   -2.3901    0.6008 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4185   -2.3353   -0.6246 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4197    2.2747    0.6209 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3829    2.3298   -0.6020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4634   -0.0567    0.6273 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4631   -0.0037   -0.6266 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6997   -0.0355    0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6991   -0.0250   -0.1264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3660   -1.2634    0.2427 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3806   -1.2430   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3812    1.1826    0.2529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3654    1.2029   -0.2430 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8227   -1.3008    0.5059 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8363   -1.2578   -0.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8369    1.1973    0.5158 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8222    1.2404   -0.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8991   -0.0420    0.8875 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8987   -0.0186   -0.8864 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6688   -2.4689    0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7001   -2.4589   -0.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7007    2.3984    0.1337 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6683    2.4085   -0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7218    0.0455   -0.3937 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7227    0.0474    0.3952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2276    0.0889   -0.1238 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2291    0.0599    0.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0188    0.2366   -1.4141 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0230    0.1867    1.4166 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1760   -0.9491    1.4376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1384    0.8074    1.5386 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1662   -0.9181   -1.4530 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1477    0.8398   -1.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1727   -3.4277    0.2010 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2171   -3.4099   -0.2308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2177    3.3494    0.2299 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1721    3.3673   -0.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4900   -0.8125   -1.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4284    0.9405   -0.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4731   -0.8076    1.0361 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4471    0.9467    0.9604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4621    0.9299    0.5389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5387   -0.8275    0.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4815    0.8979   -0.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5209   -0.8613   -0.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8278   -0.6034   -2.0894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0917    0.2630   -1.1996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7534    1.1629   -1.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8141   -0.6514    2.0892 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0963    0.1913    1.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7770    1.1166    1.9391 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2 14  2  0  0  0  0
  3 15  2  0  0  0  0
  4 16  2  0  0  0  0
  5 13  1  0  0  0  0
  5 15  1  0  0  0  0
  5 17  1  0  0  0  0
  6 14  1  0  0  0  0
  6 16  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 11  1  0  0  0  0
  8 10  2  0  0  0  0
  8 12  1  0  0  0  0
  9 13  1  0  0  0  0
  9 19  1  0  0  0  0
 10 14  1  0  0  0  0
 10 20  1  0  0  0  0
 11 15  1  0  0  0  0
 11 21  2  0  0  0  0
 12 16  1  0  0  0  0
 12 22  2  0  0  0  0
 17 23  1  0  0  0  0
 17 29  1  0  0  0  0
 17 30  1  0  0  0  0
 18 24  1  0  0  0  0
 18 31  1  0  0  0  0
 18 32  1  0  0  0  0
 19 20  2  0  0  0  0
 19 33  1  0  0  0  0
 20 34  1  0  0  0  0
 21 22  1  0  0  0  0
 21 35  1  0  0  0  0
 22 36  1  0  0  0  0
 23 25  1  0  0  0  0
 23 37  1  0  0  0  0
 23 38  1  0  0  0  0
 24 26  1  0  0  0  0
 24 39  1  0  0  0  0
 24 40  1  0  0  0  0
 25 27  1  0  0  0  0
 25 41  1  0  0  0  0
 25 42  1  0  0  0  0
 26 28  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
 28 48  1  0  0  0  0
 28 49  1  0  0  0  0
 28 50  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-05-05, 1313👍, 0💬