
 CHEMBL106577

 50 53  0  0  0  0  0  0  0  0999 V2000
    0.9496   -0.8537   -1.0941 C   0  0  0  0  0
    1.3795   -0.3084    0.2562 C   0  0  0  0  0
    2.1623    0.9128    0.1388 N   0  0  0  0  0
    3.5370    0.9522   -0.0066 C   0  0  0  0  0
    3.9037    2.2992   -0.0209 C   0  0  0  0  0
    5.2678    2.6356   -0.1540 C   0  0  0  0  0
    6.2160    1.6138   -0.2883 C   0  0  0  0  0
    5.8313    0.2747   -0.2771 C   0  0  0  0  0
    4.4857   -0.0783   -0.1302 C   0  0  0  0  0
    7.6292    1.9981   -0.4675 C   0  0  0  0  0
    8.5600    1.1275   -0.6941 N   0  0  0  0  0
    9.8092    1.6484   -0.8642 N   0  0  0  0  0
   10.8802    0.8152   -1.1512 C   0  0  0  0  0
   10.8393   -0.4092   -1.2063 O   0  0  0  0  0
   12.1822    1.5075   -1.3763 C   0  0  0  0  0
   12.2567    2.8085   -1.8907 C   0  0  0  0  0
   13.4937    3.4405   -2.0861 C   0  0  0  0  0
   14.6660    2.7449   -1.7680 C   0  0  0  0  0
   14.6005    1.4359   -1.2776 C   0  0  0  0  0
   13.3629    0.8184   -1.0866 C   0  0  0  0  0
   15.8983    3.3155   -1.9225 O   0  0  0  0  0
   13.3609    4.7107   -2.5790 O   0  0  0  0  0
   14.5380    5.4171   -2.9433 C   0  0  0  0  0
    2.7100    3.0766    0.0965 C   0  0  0  0  0
    2.4537    4.4644    0.1294 C   0  0  0  0  0
    1.1372    4.9242    0.2270 C   0  0  0  0  0
    0.0798    4.0234    0.2899 C   0  0  0  0  0
    0.3073    2.6440    0.2662 C   0  0  0  0  0
    1.6345    2.1902    0.1738 C   0  0  0  0  0
    0.3486   -1.7588   -0.9626 H   0  0  0  0  0
    1.8164   -1.1080   -1.7128 H   0  0  0  0  0
    0.3493   -0.1221   -1.6448 H   0  0  0  0  0
    1.9801   -1.0460    0.7991 H   0  0  0  0  0
    0.5060   -0.0954    0.8814 H   0  0  0  0  0
    5.5614    3.6801   -0.1703 H   0  0  0  0  0
    6.5783   -0.5102   -0.3878 H   0  0  0  0  0
    4.1962   -1.1246   -0.1275 H   0  0  0  0  0
    7.8526    3.0793   -0.4130 H   0  0  0  0  0
    9.9450    2.6426   -0.7306 H   0  0  0  0  0
   11.3592    3.3469   -2.1820 H   0  0  0  0  0
   15.5016    0.8786   -1.0373 H   0  0  0  0  0
   13.3202   -0.2017   -0.7076 H   0  0  0  0  0
   16.5825    2.6770   -1.6619 H   0  0  0  0  0
   14.2258    6.3685   -3.3860 H   0  0  0  0  0
   15.1091    4.8782   -3.7057 H   0  0  0  0  0
   15.1442    5.6548   -2.0639 H   0  0  0  0  0
    3.2728    5.1751    0.0733 H   0  0  0  0  0
    0.9410    5.9932    0.2486 H   0  0  0  0  0
   -0.9398    4.3961    0.3583 H   0  0  0  0  0
   -0.5287    1.9540    0.3130 H   0  0  0  0  0
  1  2  1  0  0  0
  1 30  1  0  0  0
  1 31  1  0  0  0
  1 32  1  0  0  0
  2  3  1  0  0  0
  2 33  1  0  0  0
  2 34  1  0  0  0
  3  4  1  0  0  0
  3 29  1  0  0  0
  4  5  2  0  0  0
  4  9  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  2  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 10  1  0  0  0
  8  9  2  0  0  0
  8 36  1  0  0  0
  9 37  1  0  0  0
 10 11  2  0  0  0
 10 38  1  0  0  0
 11 12  1  0  0  0
 12 13  1  0  0  0
 12 39  1  0  0  0
 13 15  1  0  0  0
 13 14  2  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 40  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 41  1  0  0  0
 20 42  1  0  0  0
 21 43  1  0  0  0
 22 23  1  0  0  0
 23 44  1  0  0  0
 23 45  1  0  0  0
 23 46  1  0  0  0
 24 29  1  0  0  0
 24 25  2  0  0  0
 25 26  1  0  0  0
 25 47  1  0  0  0
 26 27  2  0  0  0
 26 48  1  0  0  0
 27 28  1  0  0  0
 27 49  1  0  0  0
 28 29  2  0  0  0
 28 50  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL106577

>  <PubChem CID>
11003592

>  <Formula>
C23H21N3O3

>  <Molecular Weight>
387.439000

>  <IUPAC Name>
N-[(E)-(9-ethylcarbazol-3-yl)methylideneamino]-4-hydroxy-3-methoxybenzamide

>  <XlogP>
4.2

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN1C2=C(C=C(C=C2)C=NNC(=O)C3=CC(=C(C=C3)O)OC)C4=CC=CC=C41

>  <Isomeric SMILES>
CCN1C2=C(C=C(C=C2)/C=N/NC(=O)C3=CC(=C(C=C3)O)OC)C4=CC=CC=C41

>  <InChI Std. ID>
InChI=1S/C23H21N3O3/c1-3-26-19-7-5-4-6-17(19)18-12-15(8-10-20(18)26)14-24-25-23(28)16-9-11-21(27)22(13-16)29-2/h4-14,27H,3H2,1-2H3,(H,25,28)/b24-14+

>  <InChI Key>
BCXBZRRBUCACID-ZVHZXABRSA-N

