Molecule FYI-1000317

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A

Molecule Summary:

ID: FYI-1000317
SMILES: O=C(Nc1ccccc1CN1CCCC1)C(=O)N1CCCCCCC1

Received at FYIcenter.com on: 2021-04-05

Molecule ID: FYI-1000317 Edit

Molecule Structure SMILES String: O=C(Nc1ccccc1CN1CCCC1)C(=O)N1CCCCCCC1

Download SDF Download SVG Structure in 2D SDF:

FYI-1000317
FYIcenter.com

 25 27  0  0  0  0  0  0  0  0999 V2000
    5.7760    1.2814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7760    2.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9884    3.3814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.2008    2.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2008    1.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4132    0.5814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6257    1.2814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6257    2.6814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4132    3.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4132    4.7814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2008    5.4814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0545    6.8737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6850    7.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9850    5.9524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9219    4.9120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5634    3.3814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5634    4.7814    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3510    2.6814    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2403    3.5337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8523    3.3509    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.2403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1828    0.8522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2935    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6816    0.1827    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5337    1.2935    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  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  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
 15 11  1  0  0  0  0
 16  2  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 25 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1000317-3D
FYIcenter.com

 54 56  0  0  0  0  0  0  0  0999 V2000
    1.1001   -0.0420    0.4099 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1976    0.4893    0.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7293    1.3754   -0.4912 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9842    2.0222   -1.5361 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5735    2.0407   -1.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2317    2.6985   -2.3879 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3485    3.3931   -3.4271 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7341    3.3821   -3.5536 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5865    2.7013   -2.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0321    2.5495   -3.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0040    3.6602   -3.0994 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6336    3.8874   -1.8036 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6925    4.8514   -1.1115 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1484    5.7145   -2.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5682    4.9910   -3.5196 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1479    0.1939    1.6903 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2364    0.7651    1.6672 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7571   -0.6707    2.7659 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4928   -1.4108    2.8707 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5799   -2.9074    2.5402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6101   -3.2886    1.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9315   -3.8297    2.0307 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8376   -2.8529    2.7879 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2446   -2.2651    4.0664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6798   -0.8475    3.8925 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7151    1.5996   -0.3901 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0421    1.5433   -0.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3143    2.6568   -2.2939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2653    3.9123   -4.1562 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1469    3.8685   -4.4331 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9630    2.2359   -4.1623 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4802    1.6753   -2.6241 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6063    4.3711   -1.9682 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8281    2.9707   -1.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1961    5.4446   -0.3444 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8740    4.3062   -0.6332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5789    6.7233   -2.2123 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0612    5.8115   -2.1680 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4443    5.5173   -3.9396 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8273    5.0298   -4.3247 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7094   -0.9547    2.2739 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1281   -1.3061    3.9044 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5850   -3.2271    2.2013 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7471   -3.4913    3.4551 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7900   -2.4701    0.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1705   -4.0973    0.8756 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5112   -4.2132    1.1793 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7284   -4.6998    2.6677 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1830   -2.0591    2.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7375   -3.4162    3.0681 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0404   -2.2013    4.8222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5024   -2.9401    4.5062 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5135   -0.1467    3.8104 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1394   -0.5722    4.8051 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 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 27  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  2  0  0  0  0
  7 29  1  0  0  0  0
  8  9  1  0  0  0  0
  8 30  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 31  1  0  0  0  0
 10 32  1  0  0  0  0
 11 12  1  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 12 33  1  0  0  0  0
 12 34  1  0  0  0  0
 13 14  1  0  0  0  0
 13 35  1  0  0  0  0
 13 36  1  0  0  0  0
 14 15  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  2  0  0  0  0
 16 18  1  0  0  0  0
 18 19  1  0  0  0  0
 18 25  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 19 42  1  0  0  0  0
 20 21  1  0  0  0  0
 20 43  1  0  0  0  0
 20 44  1  0  0  0  0
 21 22  1  0  0  0  0
 21 45  1  0  0  0  0
 21 46  1  0  0  0  0
 22 23  1  0  0  0  0
 22 47  1  0  0  0  0
 22 48  1  0  0  0  0
 23 24  1  0  0  0  0
 23 49  1  0  0  0  0
 23 50  1  0  0  0  0
 24 25  1  0  0  0  0
 24 51  1  0  0  0  0
 24 52  1  0  0  0  0
 25 53  1  0  0  0  0
 25 54  1  0  0  0  0
M  END
$$$$

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2022-07-26, 2969👍, 0💬