Molecule FYI-1014043

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A

Molecule Summary:

ID: FYI-1014043
Names:
InChIKey: NPZMQYSWDQCDFA-UHFFFAOYSA-N
SMILES: CC3c2cc(c1ccc(Cl)cc1)nn2CC3(C)C

Received at FYIcenter.com on: 2025-02-21

Molecule ID: FYI-1014043 Edit

Molecule Structure InChIKey: NPZMQYSWDQCDFA-UHFFFAOYSA-N

Molecule Structure SMILES String: CC3c2cc(c1ccc(Cl)cc1)nn2CC3(C)C

Download SDF Download SVG Structure in 2D SDF:

FYI-1014043
FYIcenter.com

 18 20  0  0  0  0  0  0  0  0999 V2000
    8.7224    3.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5100    2.7238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2310    3.2933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5310    4.5057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1616    4.2146    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1212    5.1514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4123    6.5208    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    7.4576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0404    7.0250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9618    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    0.7493    5.6555    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7897    4.7187    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0153    2.8223    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2942    2.2529    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.9942    1.0404    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3636    1.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7962    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7330    1.0405    0.0000 C   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  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
 10  9  1  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 12  6  1  0  0  0  0
 13  5  2  0  0  0  0
 14 13  1  0  0  0  0
 14  3  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  1  0  0  0  0
 16  2  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014043-3D
FYIcenter.com

 35 37  0  0  1  0  0  0  0  0999 V2000
    0.8918   -0.1457    0.1927 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4146   -0.0756    0.1399 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.9665   -1.2785   -0.5111 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9252   -2.6434   -0.4501 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7479   -3.0806   -1.5389 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9796   -4.4617   -1.9632 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0146   -5.4517   -1.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2061   -6.7636   -2.1575 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3696   -7.0959   -2.8457 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5900   -8.7023   -3.4206 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.3485   -6.1325   -3.0814 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1522   -4.8183   -2.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2859   -2.0224   -2.1936 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7778   -0.9806   -1.5427 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9165    0.4307   -1.8347 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0420    1.1097   -0.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9443    1.9666    0.1866 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9979    2.0341   -1.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5671   -1.0255    0.7608 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4484   -0.2333   -0.8052 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4752    0.7358    0.6883 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7939   -0.0339    1.1681 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3665   -3.2502    0.2487 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0901   -5.2097   -1.1953 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4392   -7.5114   -1.9738 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2595   -6.3909   -3.6138 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9169   -4.0688   -2.8385 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5363    0.5990   -2.8470 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9789    0.6845   -1.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7659    1.3755    0.6059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3709    2.3839    1.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3847    2.8030   -0.3677 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3549    1.4915   -2.0659 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4811    2.8414   -1.9275 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3612    2.5029   -0.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  2 22  1  0  0  0  0
  3  4  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 23  1  0  0  0  0
  5  6  1  0  0  0  0
  5 13  2  0  0  0  0
  6  7  1  0  0  0  0
  6 12  2  0  0  0  0
  7  8  2  0  0  0  0
  7 24  1  0  0  0  0
  8  9  1  0  0  0  0
  8 25  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 26  1  0  0  0  0
 12 27  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 15 29  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 33  1  0  0  0  0
 18 34  1  0  0  0  0
 18 35  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-03-12, 1459👍, 0💬