Molecule FYI-1001197

Home > Molecule

A

Molecule Summary:

ID: FYI-1001197
SMILES: COC=1C=CC=2NC=C(CN(C)C)C2C1

Received at FYIcenter.com on: 2022-03-03

Molecule ID: FYI-1001197 Edit

Molecule Structure SMILES String: COC=1C=CC=2NC=C(CN(C)C)C2C1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001197
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
    4.2312   -1.6313   -0.0085 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8303   -1.7406   -0.2684 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0872   -0.6097   -0.1339 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7009    0.5827    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9635    1.7368    0.3832 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5924    1.7190    0.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3904    2.6845    0.2068 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6000    2.1363   -0.1212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4514    0.8307   -0.3963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5404   -0.1299   -0.7990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9514   -0.9214    0.3684 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1646   -1.6970    0.0778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8622   -1.7974    0.8204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0301    0.5168   -0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7288   -0.6468   -0.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3854   -1.2999    1.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7042   -2.6028   -0.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6725   -0.9077   -0.6939 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7651    0.6021    0.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4496    2.6557    0.6759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2457    3.6137    0.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5360    2.6741   -0.1541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3958    0.4289   -1.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1677   -0.7964   -1.5768 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9720   -2.3749   -0.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4469   -2.2737    0.9586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9752   -1.0181   -0.1871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9990   -1.1914    1.0955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1933   -2.3719    1.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5863   -2.4788    0.0157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2549   -1.5709   -0.6728 H   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  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  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
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
  9 14  1  0  0  0  0
  6 14  2  0  0  0  0
 14 15  1  0  0  0  0
  3 15  2  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  4 19  1  0  0  0  0
  5 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001197-3D
FYIcenter.com

 31 32  0  0  0  0  0  0  0  0999 V2000
    1.0550    0.3548    0.0345 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4680    0.1857    0.0719 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1610    0.8105   -0.9318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7772    2.0022   -1.5448 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5658    2.5879   -2.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7419    1.9288   -2.9149 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6932    2.2707   -3.8476 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6462    1.2948   -3.9333 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3401    0.3004   -3.0169 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0731   -0.9937   -2.8166 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4951   -0.7785   -2.5008 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6736   -0.1192   -1.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1923   -2.0681   -2.4878 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1485    0.7241   -2.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3554    0.1802   -1.3063 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6199   -0.3183    0.7798 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6494    0.0777   -0.9446 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7671    1.3750    0.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8641    2.5142   -1.2541 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2655    3.5210   -3.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6727    3.1129   -4.4051 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4653    1.3735   -4.6341 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9925   -1.5461   -3.7624 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5852   -1.6082   -2.0490 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1676    0.8506   -1.1651 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7365    0.0885   -1.0348 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3064   -0.7327   -0.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0821   -2.5834   -3.4486 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8170   -2.7325   -1.6998 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2670   -1.9231   -2.3313 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6526   -0.7390   -0.8111 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 15  2  0  0  0  0
  4  5  2  0  0  0  0
  4 19  1  0  0  0  0
  5  6  1  0  0  0  0
  5 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  2  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  2  0  0  0  0
  8 22  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 11  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 28  1  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 15 31  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-04-21, 2305👍, 0💬