Molecule FYI-1007740

A

Molecule Summary:

ID: FYI-1007740
Names:
InChIKey: LADXUBPQRFIWEE-UHFFFAOYSA-N
SMILES: CN(C)C(=O)CCNC(=O)c1cc(Cl)cc2cccnc12

Received at FYIcenter.com on: 2024-03-14

Molecule ID: FYI-1007740 Edit

Molecule Structure InChIKey: LADXUBPQRFIWEE-UHFFFAOYSA-N

Molecule Structure SMILES String: CN(C)C(=O)CCNC(=O)c1cc(Cl)cc2cccnc12

Download SDF Download SVG Structure in 2D SDF:

FYI-1007740
FYIcenter.com

 21 22  0  0  0  0  0  0  0  0999 V2000
   12.1244    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   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
    7.2746    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.9000    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    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
    3.6373    2.8000    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
    3.6373    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    2.1000    0.0000 N   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  2  1  0  0  0  0
  5  4  2  0  0  0  0
  6  4  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 13  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 17 11  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 17 21  1  0  0  0  0
 16 18  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007740-3D
FYIcenter.com

 37 38  0  0  0  0  0  0  0  0999 V2000
    0.9840    4.7733    1.0582 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4308    4.8295    1.0013 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.0786    6.1362    0.9875 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1302    3.6219    1.0447 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5673    2.5284    1.0655 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6341    3.7518    1.0858 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3671    2.4225    1.2137 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8227    2.5393    1.1530 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5391    3.5668    1.7264 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0387    4.5535    2.2592 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0175    3.5121    1.6471 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6641    4.7593    1.5822 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0446    4.8218    1.5723 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8347    6.3443    1.4858 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   11.7866    3.6508    1.6428 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1396    2.4031    1.7050 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8885    1.2229    1.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2469   -0.0063    1.8574 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8692   -0.0191    1.8160 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1115    1.0974    1.7277 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.7269    2.3059    1.6883 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5446    5.7730    1.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6837    4.2798    1.9876 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6211    4.1846    0.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3437    6.9439    0.9486 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7233    6.2046    0.1063 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6882    6.2553    1.8879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8477    4.3638    1.9646 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750    4.2732    0.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0780    1.7486    0.3989 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1139    1.9238    2.1560 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3491    1.6827    0.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0756    5.6751    1.5455 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8728    3.7089    1.6544 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.9756    1.2548    1.8286 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8096   -0.9298    1.9383 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3157   -0.9531    1.8593 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  1 24  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 28  1  0  0  0  0
  6 29  1  0  0  0  0
  7  8  1  0  0  0  0
  7 30  1  0  0  0  0
  7 31  1  0  0  0  0
  8  9  1  0  0  0  0
  8 32  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 21  2  0  0  0  0
 12 13  2  0  0  0  0
 12 33  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
 15 34  1  0  0  0  0
 16 17  1  0  0  0  0
 16 21  1  0  0  0  0
 17 18  2  0  0  0  0
 17 35  1  0  0  0  0
 18 19  1  0  0  0  0
 18 36  1  0  0  0  0
 19 20  2  0  0  0  0
 19 37  1  0  0  0  0
 20 21  1  0  0  0  0
M  END
$$$$

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2024-03-23, 566👍, 0💬