Molecule FYI-1001481

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A

Molecule Summary:

ID: FYI-1001481
SMILES: O=C(c1ccc(cn1)c1ccc(cc1)c1nc2c([nH]1)cccc2C(=O)N)N1CCCC1

Received at FYIcenter.com on: 2022-08-16

Molecule ID: FYI-1001481 Edit

Molecule Structure SMILES String: O=C(c1ccc(cn1)c1ccc(cc1)c1nc2c([nH]1)cccc2C(=O)N)N1CCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1001481
FYIcenter.com

 31 35  0  0  0  0  0  0  0  0999 V2000
    4.6407    1.6834    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    2.3833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    3.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    4.4833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    6.5833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    5.8833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    4.4833    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282    7.9833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407    8.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6407   10.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282   10.7833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158   10.0833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    8.6833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4282   12.1833    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5608   13.0062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1282   14.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282   14.3376    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2956   13.0062    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0282   15.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7282   16.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1282   16.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8282   15.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2281   15.5501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9281   14.3376    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9281   16.7625    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.6834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9369    2.2527    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0695    0.2911    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  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  6  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
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 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 12  1  0  0  0  0
 16 15  2  0  0  0  0
 17 16  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 19 15  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  2  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 23 17  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27  2  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  1  0  0  0  0
 31 27  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001481-3D
FYIcenter.com

 52 56  0  0  0  0  0  0  0  0999 V2000
    1.3242   -0.3716   -0.0290 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4193    0.1412    0.2039 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2232   -0.3766    1.3664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1239   -1.7121    1.7327 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8463   -2.1617    2.8476 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6514   -1.2869    3.5940 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6583    0.0362    3.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9802    0.5099    2.0582 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4452   -1.7301    4.7749 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0077   -3.0183    4.8665 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7894   -3.4332    5.9728 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0504   -2.5715    7.0393 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4752   -1.2870    6.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6912   -0.8798    5.8618 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8777   -2.9861    8.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5867   -4.0981    8.4124 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1465   -3.9982    9.7022 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7498   -2.7823   10.2641 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0066   -2.1676    9.3009 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0917   -2.3431   11.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8712   -3.1890   12.3222 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3104   -4.4051   11.8103 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9811   -4.8304   10.4988 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5892   -6.1190   10.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2459   -6.7966   10.8607 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4288   -6.5260    8.7913 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9396    1.1660   -0.5787 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1737    1.7921   -1.6408 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2233    2.1927   -2.6643 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4348    2.5369   -1.8073 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3254    1.6065   -0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4991   -2.3945    1.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7523   -3.2076    3.1313 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2699    0.1260    5.8866 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.7570   -1.3833   11.9256 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1490   -2.8952   13.3316 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9348   -5.0370   12.4421 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8941   -5.9903    8.1187 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9138   -7.3689    8.5103 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921    2.6797   -1.2136 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4027    1.1349   -2.0515 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030    3.0272   -3.2951 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4576    1.3415   -3.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3781    3.5811   -1.4790 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3791    2.4059   -2.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5706    2.1436    0.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9740    0.7303   -0.7035 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2 27  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 32  1  0  0  0  0
  5  6  1  0  0  0  0
  5 33  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 34  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  2  0  0  0  0
 10 11  2  0  0  0  0
 10 35  1  0  0  0  0
 11 12  1  0  0  0  0
 11 36  1  0  0  0  0
 12 13  2  0  0  0  0
 12 15  1  0  0  0  0
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 13 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  2  0  0  0  0
 15 19  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 23  2  0  0  0  0
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 18 20  2  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 22  2  0  0  0  0
 21 41  1  0  0  0  0
 22 23  1  0  0  0  0
 22 42  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 43  1  0  0  0  0
 26 44  1  0  0  0  0
 27 28  1  0  0  0  0
 27 31  1  0  0  0  0
 28 29  1  0  0  0  0
 28 45  1  0  0  0  0
 28 46  1  0  0  0  0
 29 30  1  0  0  0  0
 29 47  1  0  0  0  0
 29 48  1  0  0  0  0
 30 31  1  0  0  0  0
 30 49  1  0  0  0  0
 30 50  1  0  0  0  0
 31 51  1  0  0  0  0
 31 52  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-10-01, 1316👍, 0💬