Molecule FYI-1003817

A

Molecule Summary:

ID: FYI-1003817
Names:
InChIKey: VMQWKRFQUOAZGL-UHFFFAOYSA-N
SMILES: C=CC(=O)N2CCC(NC(=O)c1cccc(OC)c1)CC2

Received at FYIcenter.com on: 2023-07-27

Molecule ID: FYI-1003817 Edit

Molecule Structure InChIKey: VMQWKRFQUOAZGL-UHFFFAOYSA-N

Molecule Structure SMILES String: C=CC(=O)N2CCC(NC(=O)c1cccc(OC)c1)CC2

Download SDF Download SVG Structure in 2D SDF:

FYI-1003817
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1243    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    5.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    1.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.4000    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  2  0  0  0  0
  8  3  1  0  0  0  0
  9  7  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  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  1  0  0  0  0
 17 12  1  0  0  0  0
 18 15  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003817-3D
FYIcenter.com

 41 42  0  0  0  0  0  0  0  0999 V2000
    1.1334   -0.3713   -1.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3993   -0.2147   -0.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1305    1.0467   -0.9160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5004    2.0848   -1.1175 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5166    0.9952   -0.9120 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2575    2.2508   -0.9898 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1586    2.2805   -2.2186 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0818    1.0586   -2.2736 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1453    1.1583   -1.2754 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.3581    0.5185   -1.4355 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6246   -0.2003   -2.3897 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.3573    0.7234   -0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3181   -0.2686   -0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2806   -0.0978    0.8688 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2994    1.0706    1.6362 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3611    2.0770    1.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2916    3.2778    2.0554 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3032    3.5519    3.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3887    1.8975    0.4152 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2721   -0.2367   -2.1350 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3442   -0.2151   -0.9216 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5774   -1.2714   -0.7999 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6226    0.3996   -1.6095 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8772   -0.9744   -0.0282 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8497    2.3339   -0.0709 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5855    3.1149   -1.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7449    3.2070   -2.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5287    2.2873   -3.1175 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5736    1.0468   -3.2555 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9249    1.5440   -0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3194   -1.1737   -0.7306 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0261   -0.8711    1.0387 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0672    1.1675    2.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1905    4.5937    3.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3072    3.4454    2.5940 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1767    2.9161    3.9003 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6872    2.7055    0.2271 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9326   -1.1092   -2.0778 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6594   -0.3591   -3.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9212   -0.2264    0.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7361   -1.1224   -0.9437 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  2 24  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  6  7  1  0  0  0  0
  6 25  1  0  0  0  0
  6 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 27  1  0  0  0  0
  7 28  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  8 29  1  0  0  0  0
  9 10  1  0  0  0  0
  9 30  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 19  2  0  0  0  0
 13 14  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 16  2  0  0  0  0
 15 33  1  0  0  0  0
 16 17  1  0  0  0  0
 16 19  1  0  0  0  0
 17 18  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
 20 38  1  0  0  0  0
 20 39  1  0  0  0  0
 21 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1580👍, 0💬