Molecule FYI-1007840

A

Molecule Summary:

ID: FYI-1007840
Names:
InChIKey: OJCVNVZCOPQWBR-UHFFFAOYSA-N
SMILES: Fc1ccccc1Nc4nccc(Nc2cc(Cl)ccc2N3CCOCC3)n4

Received at FYIcenter.com on: 2024-03-18

Molecule ID: FYI-1007840 Edit

Molecule Structure InChIKey: OJCVNVZCOPQWBR-UHFFFAOYSA-N

Molecule Structure SMILES String: Fc1ccccc1Nc4nccc(Nc2cc(Cl)ccc2N3CCOCC3)n4

Download SDF Download SVG Structure in 2D SDF:

FYI-1007840
FYIcenter.com

 28 31  0  0  0  0  0  0  0  0999 V2000
    7.2745    6.3000    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4248    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
    2.4248    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6372    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2745    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   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  2  0  0  0  0
  7  2  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 10  1  0  0  0  0
 12 11  2  0  0  0  0
 13 12  1  0  0  0  0
 14 13  2  0  0  0  0
 14  9  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 18  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 16  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  1  0  0  0  0
 28 27  1  0  0  0  0
 28 23  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1007840-3D
FYIcenter.com

 47 50  0  0  0  0  0  0  0  0999 V2000
    3.5155    4.0518    0.2182 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4687    4.1621   -1.1170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0031    5.3562   -1.6607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9978    5.5321   -3.0433 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4921    4.5237   -3.8711 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9587    3.3293   -3.3203 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9034    3.1105   -1.9391 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3586    1.8774   -1.4427 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8187    1.1973   -0.3477 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5381    1.3648    0.0027 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1057    0.6660    1.0590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8908   -0.2310    1.7389 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1934   -0.3693    1.2993 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0535   -1.1990    2.0417 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4683   -1.2288    2.1618 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2835   -0.5579    1.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6657   -0.5443    1.3432 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6199    0.2583    0.1574 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    9.2721   -1.1729    2.4119 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4811   -1.8232    3.3669 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0713   -1.8813    3.2817 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3567   -2.5388    4.2815 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0218   -2.1345    4.7588 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9934   -2.0226    6.2919 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4871   -3.2054    6.9350 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8377   -3.4611    6.5178 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9053   -3.7042    5.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6528    0.3569    0.2721 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6462    6.1361   -0.9990 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    6.4531   -3.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5021    4.6616   -4.9491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3308    2.5453   -3.9769 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3655    1.8084   -1.3698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0816    0.8673    1.3569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5096   -0.7597    2.6008 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6562   -2.0989    2.2741 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8522   -0.0611    0.3675 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3524   -1.1549    2.5243 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0038   -2.2497    4.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3039   -2.9005    4.4390 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6972   -1.1656    4.3745 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9626   -1.8686    6.6259 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5836   -1.1610    6.6255 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1855   -4.3482    7.0556 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4715   -2.6168    6.8155 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2831   -4.5725    4.7515 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9275   -3.9650    4.7152 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
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 29  1  0  0  0  0
  4  5  1  0  0  0  0
  4 30  1  0  0  0  0
  5  6  2  0  0  0  0
  5 31  1  0  0  0  0
  6  7  1  0  0  0  0
  6 32  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 33  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  2  0  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 34  1  0  0  0  0
 12 13  2  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 13 28  1  0  0  0  0
 14 15  1  0  0  0  0
 14 36  1  0  0  0  0
 15 16  1  0  0  0  0
 15 21  2  0  0  0  0
 16 17  2  0  0  0  0
 16 37  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 38  1  0  0  0  0
 20 21  1  0  0  0  0
 20 39  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 22 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 40  1  0  0  0  0
 23 41  1  0  0  0  0
 24 25  1  0  0  0  0
 24 42  1  0  0  0  0
 24 43  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 44  1  0  0  0  0
 26 45  1  0  0  0  0
 27 46  1  0  0  0  0
 27 47  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-03-23, 791👍, 0💬