Molecule FYI-1016306

A

Molecule Summary:

ID: FYI-1016306
Names:
InChIKey: YWTVMIGJEVHDON-UHFFFAOYSA-N
SMILES: C=C(CN(C(C)c1ccccc1)C(C)c2ccccc2)C3CC=C(CO)CC3

Received at FYIcenter.com on: 2025-12-03

Molecule ID: FYI-1016306 Edit

Molecule Structure InChIKey: YWTVMIGJEVHDON-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(CN(C(C)c1ccccc1)C(C)c2ccccc2)C3CC=C(CO)CC3

Download SDF Download SVG Structure in 2D SDF:

FYI-1016306
FYIcenter.com

 59 61  0  0  0  0  0  0  0  0999 V2000
    5.0928    8.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3187    7.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3187    6.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5445    5.6618    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.7703    6.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8966    7.6254    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9961    5.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2219    6.3695    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4477    5.6618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4477    4.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2219    3.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9961    4.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5445    4.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5954    3.5061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3187    3.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3187    2.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0928    1.4154    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8670    2.1232    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8670    3.5386    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0928    4.2463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5445    8.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8670    7.7849    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6412    8.4927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6412    9.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4154   10.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4154   12.0313    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0928    9.9081    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8670   10.6158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1896   12.7390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7058    5.1437    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0455    6.2874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5518    7.0450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1857    7.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7703    9.2004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4022    7.7028    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2219    7.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6735    6.3695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6735    3.5386    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2219    2.1232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1162    3.6030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0626    2.3128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9961    2.8309    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4047    4.7376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5445    1.4154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0928    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6412    1.4154    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6412    4.2463    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0928    5.6618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5837    8.0206    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5445    9.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5037    6.6002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1593    6.5592    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4154    7.7849    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.6158    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7077    9.3900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1593   11.8416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5748   11.8416    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8005   11.1339    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5083    9.9081    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
  7 12  1  0  0  0  0
  4 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 15 20  1  0  0  0  0
  2 21  2  0  0  0  0
  1 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
  1 27  1  0  0  0  0
 24 28  1  0  0  0  0
 28 27  1  0  0  0  0
 26 29  1  0  0  0  0
  3 30  1  0  0  0  0
  3 31  1  0  0  0  0
  5 32  1  0  0  0  0
  6 33  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  8 36  1  0  0  0  0
  9 37  1  0  0  0  0
 10 38  1  0  0  0  0
 11 39  1  0  0  0  0
 12 40  1  0  0  0  0
 14 41  1  0  0  0  0
 14 42  1  0  0  0  0
 14 43  1  0  0  0  0
 16 44  1  0  0  0  0
 17 45  1  0  0  0  0
 18 46  1  0  0  0  0
 19 47  1  0  0  0  0
 20 48  1  0  0  0  0
 21 49  1  0  0  0  0
 21 50  1  0  0  0  0
 22 51  1  0  0  0  0
 22 52  1  0  0  0  0
 23 53  1  0  0  0  0
 25 54  1  0  0  0  0
 25 55  1  0  0  0  0
 28 56  1  0  0  0  0
 28 57  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1016306-3D
FYIcenter.com

 61 63  0  0  1  0  0  0  0  0999 V2000
    1.4466   -0.8654   -0.2534 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5012   -0.1022    0.0990 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0185    0.9732   -0.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0779    1.8286   -1.6134 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1971    2.7271   -0.7802 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1637    1.9351    0.0518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8147    3.8761    0.0472 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1668    4.2457    0.0354 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6257    5.4165    0.6429 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7497    6.2245    1.3540 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4184    5.8543    1.4608 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9545    4.7118    0.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7778    2.5593   -2.7227 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7101    1.7032   -3.6128 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8864    3.3564   -3.6751 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0428    4.7537   -3.7473 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4146    5.4961   -4.7469 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6151    4.8512   -5.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4112    3.4727   -5.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0301    2.7291   -4.5906 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3514   -0.3220    1.3728 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4433    0.9246    2.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1655    1.1695    3.0319 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3097    0.1770    3.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0527    0.4565    3.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0480   -0.0485    3.0271 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6543   -1.2733    3.0788 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9468   -1.5102    2.2759 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9182   -0.6839   -1.1852 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0503   -1.6610    0.3640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5912    0.3644   -1.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7733    1.5841   -0.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5538    3.2461   -1.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6232    1.4367    0.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3676    1.1974   -0.5628 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6221    2.5619    0.4807 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9212    3.6554   -0.4672 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6678    5.7040    0.5372 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1044    7.1418    1.8183 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7266    6.4659    2.0321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1095    4.5043    0.8747 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4657    3.2827   -2.2902 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1893    0.8496   -4.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5798    1.3374   -3.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1210    2.3078   -4.4329 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6976    5.2681   -3.0454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5759    6.5693   -4.8093 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586    5.4211   -6.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2102    2.9731   -6.3360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8854    1.6520   -4.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3681   -0.5373    1.0111 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7031    1.8192    1.7181 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2511    0.7928    3.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9140    2.2079    3.2362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2347    1.5295    4.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1736   -0.0224    4.8826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8526    0.3191    2.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8248   -1.7524    2.5485 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7368   -1.7953    4.0406 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8779   -2.4323    1.7002 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7640   -1.6773    2.9971 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2  3  1  0  0  0  0
  2 21  1  0  0  0  0
  3  4  1  0  0  0  0
  3 31  1  0  0  0  0
  3 32  1  0  0  0  0
  4  5  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 33  1  0  0  0  0
  6 34  1  0  0  0  0
  6 35  1  0  0  0  0
  6 36  1  0  0  0  0
  7  8  1  0  0  0  0
  7 12  2  0  0  0  0
  8  9  2  0  0  0  0
  8 37  1  0  0  0  0
  9 10  1  0  0  0  0
  9 38  1  0  0  0  0
 10 11  2  0  0  0  0
 10 39  1  0  0  0  0
 11 12  1  0  0  0  0
 11 40  1  0  0  0  0
 12 41  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 42  1  0  0  0  0
 14 43  1  0  0  0  0
 14 44  1  0  0  0  0
 14 45  1  0  0  0  0
 15 16  1  0  0  0  0
 15 20  2  0  0  0  0
 16 17  2  0  0  0  0
 16 46  1  0  0  0  0
 17 18  1  0  0  0  0
 17 47  1  0  0  0  0
 18 19  2  0  0  0  0
 18 48  1  0  0  0  0
 19 20  1  0  0  0  0
 19 49  1  0  0  0  0
 20 50  1  0  0  0  0
 21 22  1  0  0  0  0
 21 28  1  0  0  0  0
 21 51  1  0  0  0  0
 22 23  1  0  0  0  0
 22 52  1  0  0  0  0
 22 53  1  0  0  0  0
 23 24  2  0  0  0  0
 23 54  1  0  0  0  0
 24 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
 25 55  1  0  0  0  0
 25 56  1  0  0  0  0
 26 57  1  0  0  0  0
 27 28  1  0  0  0  0
 27 58  1  0  0  0  0
 27 59  1  0  0  0  0
 28 60  1  0  0  0  0
 28 61  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-12-09, 487👍, 0💬