Molecule FYI-1000441

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Molecule Summary:

ID: FYI-1000441
SMILES: COc1ccc(cc1)C1CC(=NN1)C1=Cc2ccccc2OC1=O

Received at FYIcenter.com on: 2021-06-24

Molecule ID: FYI-1000441 Edit

Molecule Structure SMILES String: COc1ccc(cc1)C1CC(=NN1)C1=Cc2ccccc2OC1=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1000441
FYIcenter.com

 24 27  0  0  0  0  0  0  0  0999 V2000
   14.4168    4.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2042    5.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9918    4.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7794    5.5361    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5669    4.8362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5669    3.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7794    2.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9918    3.4362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3545    2.7362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0756    3.3055    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1387    2.2652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8387    1.0528    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2082    1.3439    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7464    2.4115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1770    3.6905    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7847    3.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152    5.1157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8229    5.2622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5695    2.8505    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9618    2.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5312    1.4252    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9235    1.2789    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4930    0.0000    0.0000 O   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
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 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 23 14  1  0  0  0  0
 24 23  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000441-3D
FYIcenter.com

 40 43  0  0  1  0  0  0  0  0999 V2000
    2.7293    0.9819   -1.0941 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3449   -0.3753   -0.9394 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3214   -1.2771   -0.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6574   -1.0020   -0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5474   -2.0492   -0.0607 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1168   -3.3847   -0.0729 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7644   -3.6403   -0.3365 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8857   -2.5985   -0.6161 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1079   -4.5102    0.1457 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.7788   -5.4075    1.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0568   -6.5346    0.6201 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2548   -6.5476   -0.6639 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0800   -5.5015   -0.9329 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3206   -7.5966    1.3710 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8158   -7.8277    2.6034 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9058   -8.8109    2.4580 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2043   -8.4818    2.8529 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2808   -9.1596    2.2825 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0615  -10.2282    1.4065 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7640  -10.6187    1.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7060   -9.8633    1.5628 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4570  -10.0015    0.9399 O   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5876   -1.8080    0.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3783   -4.6559   -0.3685 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8443   -2.8274   -0.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1198   -4.1046    0.2548 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1719   -4.9436    2.1073 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7035   -5.8152    1.7561 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9037   -5.0833   -1.8502 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0933   -7.0126    3.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3954   -7.6112    3.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2940   -8.8110    2.4691 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9073  -10.7163    0.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5893  -11.4131    0.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 25  1  0  0  0  0
  1 26  1  0  0  0  0
  1 27  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 28  1  0  0  0  0
  5  6  1  0  0  0  0
  5 29  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  8 31  1  0  0  0  0
  9 10  1  0  0  0  0
  9 13  1  0  0  0  0
  9 32  1  0  0  0  0
 10 11  1  0  0  0  0
 10 33  1  0  0  0  0
 10 34  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 13 35  1  0  0  0  0
 14 15  2  0  0  0  0
 14 23  1  0  0  0  0
 15 16  1  0  0  0  0
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 16 17  1  0  0  0  0
 16 21  2  0  0  0  0
 17 18  2  0  0  0  0
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 20 40  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
M  END
$$$$

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2022-11-16, 2115👍, 0💬