Molecule FYI-1016288

A

Molecule Summary:

ID: FYI-1016288
Names:
InChIKey: NIGRCAAMNSIVJK-UHFFFAOYSA-O
SMILES: O=C(CCC1CC[NH2+]CC1)Nc3ccc2[nH]c(=O)[nH]c2c3

Received at FYIcenter.com on: 2025-12-02

Molecule ID: FYI-1016288 Edit

Molecule Structure InChIKey: NIGRCAAMNSIVJK-UHFFFAOYSA-O

Molecule Structure SMILES String: O=C(CCC1CC[NH2+]CC1)Nc3ccc2[nH]c(=O)[nH]c2c3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016288
FYIcenter.com

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.0623    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    2.3674    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0663    3.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4663    3.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2434    4.6326    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6996    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8499    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.7000    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.2125    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.7000    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  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  0  0  0  0
 11  6  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  2  0  0  0  0
 13  4  1  0  0  0  0
 14  2  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  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
 21 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016288-3D
FYIcenter.com

 42 44  0  0  0  0  0  0  0  0999 V2000
    1.0347   -0.6829   -0.1419 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0373   -0.0252    0.1117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8250    0.6566   -1.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9873    1.0309   -2.2400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8469    1.6731   -3.3613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0096    2.1930   -4.5490 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5003    1.1083   -5.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6043    0.1772   -5.8743 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.3536   -0.4041   -4.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9389    0.7358   -3.9049 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6460    0.1283    1.3502 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3207   -0.5314    2.5598 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4707   -1.6601    2.6170 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1992   -2.3191    3.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7903   -1.8152    4.9585 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7102   -2.2471    6.2766 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4937   -1.4035    7.0797 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6590   -1.4832    8.2781 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0562   -0.4460    6.2158 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6269   -0.7038    4.9177 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9186   -0.0474    3.7411 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5997   -0.0663   -1.2784 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3214    1.5530   -0.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2133    1.7456   -1.9296 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4490    0.1536   -2.6161 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3435    2.5453   -2.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6415    2.8791   -5.1309 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1645    2.7926   -4.1916 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1335    1.5469   -6.4280 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7050    0.5068   -5.0455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2640    0.6598   -6.5004 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2099   -0.5913   -6.4345 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1403   -1.0377   -5.1428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6574   -1.0280   -4.1557 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6169    1.3216   -4.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5628    0.3376   -3.1007 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3691    0.8337    1.4253 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0194   -2.0658    1.7155 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5534   -3.1888    3.8582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1861   -3.0297    6.6359 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6646    0.2881    6.5368 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5756    0.8139    3.7462 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 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3 22  1  0  0  0  0
  3 23  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  1  0  0  0  0
  5 26  1  0  0  0  0
  6  7  1  0  0  0  0
  6 27  1  0  0  0  0
  6 28  1  0  0  0  0
  7  8  1  0  0  0  0
  7 29  1  0  0  0  0
  7 30  1  0  0  0  0
  8  9  1  0  0  0  0
  8 31  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  1  0  0  0  0
  9 33  1  0  0  0  0
  9 34  1  0  0  0  0
 10 35  1  0  0  0  0
 10 36  1  0  0  0  0
 11 12  1  0  0  0  0
 11 37  1  0  0  0  0
 12 13  1  0  0  0  0
 12 21  2  0  0  0  0
 13 14  2  0  0  0  0
 13 38  1  0  0  0  0
 14 15  1  0  0  0  0
 14 39  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  1  0  0  0  0
 16 40  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 41  1  0  0  0  0
 20 21  1  0  0  0  0
 21 42  1  0  0  0  0
M  END
$$$$

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2025-12-09, 398👍, 0💬