Molecule FYI-1004614

A

Molecule Summary:

ID: FYI-1004614
Names:
InChIKey: ZQIPPVAUOJLJFR-UHFFFAOYSA-N
SMILES: O=C(Nc2ccc(O)c(C(=O)N1CCCC1)c2)c6cc5c(c4cnc3[nH]ccc3c4)ccc[c+]5s6

Received at FYIcenter.com on: 2023-09-14

Molecule ID: FYI-1004614 Edit

Molecule Structure InChIKey: ZQIPPVAUOJLJFR-UHFFFAOYSA-N

Molecule Structure SMILES String: O=C(Nc2ccc(O)c(C(=O)N1CCCC1)c2)c6cc5c(c4cnc3[nH]ccc3c4)ccc[c+]5s6

Download SDF Download SVG Structure in 2D SDF:

FYI-1004614
FYIcenter.com

 35 40  0  0  0  0  0  0  0  0999 V2000
    1.0032    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2157    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4281    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8530    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0654    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0654    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1981    2.9229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7654    4.2544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4654    5.4668    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0694    6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6406    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  9  1  0  0  0  0
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 21 11  2  3  0  0  0
 22 21  2  3  0  0  0
 23 22  2  3  0  0  0
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 34 33  1  0  0  0  0
 34 30  1  0  0  0  0
 35 29  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004614-3D
FYIcenter.com

 57 62  0  0  1  0  0  0  0  0999 V2000
    2.2222   -0.2986   -1.1680 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2225   -0.4594   -0.4797 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4196   -1.4200    0.4940 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5765   -2.4409    0.9474 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3366   -2.7540    0.4154 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5635   -3.7504    1.0239 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9857   -4.3619    2.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1526   -5.2689    2.8073 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2703   -1.7625    6.1162 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.4174    1.8430   -0.9880 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6308    2.4049   -0.8315 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1198    3.7473   -1.1668 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4648    4.6995   -2.0783 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END
$$$$

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2023-09-23, 1682👍, 0💬