
 CHEMBL419951

 48 51  0  0  0  0  0  0  0  0999 V2000
    0.9871   -0.2532   -0.0851 C   0  0  0  0  0
    0.9846    0.9182    0.8980 C   0  0  0  0  0
    1.0271    0.4598    2.3563 C   0  0  0  0  0
    2.0098    1.9199    0.5883 N   0  0  0  0  0
    3.3826    1.7215    0.6342 C   0  0  0  0  0
    3.9830    2.9286    0.2767 C   0  0  0  0  0
    5.3933    3.0150    0.2534 C   0  0  0  0  0
    6.1859    1.9115    0.6007 C   0  0  0  0  0
    5.5637    0.7148    0.9356 C   0  0  0  0  0
    4.1650    0.5993    0.9576 C   0  0  0  0  0
    7.5841    2.1112    0.5888 N   0  0  0  0  0
    8.5692    1.2544    1.0261 C   0  0  0  0  0
    8.3594    0.1476    1.5171 O   0  0  0  0  0
    9.8749    1.7415    0.8923 N   0  0  0  0  0
   10.8980    1.0733    1.7063 C   0  0  0  0  0
   12.3132    1.2686    1.1614 C   0  0  0  0  0
   12.5961    2.6578    0.9463 O   0  0  0  0  0
   11.6931    3.1892   -0.0276 C   0  0  0  0  0
   10.2396    3.0929    0.4453 C   0  0  0  0  0
    2.9473    3.8716    0.0083 C   0  0  0  0  0
    2.9532    5.2274   -0.3865 C   0  0  0  0  0
    1.7454    5.9081   -0.5557 C   0  0  0  0  0
    0.5385    5.2564   -0.3372 C   0  0  0  0  0
    0.5060    3.9127    0.0496 C   0  0  0  0  0
    1.7257    3.2295    0.2177 C   0  0  0  0  0
    0.9250    0.1061   -1.1185 H   0  0  0  0  0
    0.1254   -0.9051    0.0955 H   0  0  0  0  0
    1.8866   -0.8688   -0.0013 H   0  0  0  0  0
    0.0167    1.4131    0.7692 H   0  0  0  0  0
    1.9049   -0.1529    2.5766 H   0  0  0  0  0
    0.1421   -0.1407    2.5923 H   0  0  0  0  0
    1.0401    1.3190    3.0357 H   0  0  0  0  0
    5.8473    3.9615   -0.0205 H   0  0  0  0  0
    6.1402   -0.1689    1.1941 H   0  0  0  0  0
    3.7223   -0.3512    1.2334 H   0  0  0  0  0
    7.8661    3.0463    0.3596 H   0  0  0  0  0
   10.6871    0.0032    1.7998 H   0  0  0  0  0
   10.8261    1.5172    2.7070 H   0  0  0  0  0
   13.0456    0.8855    1.8791 H   0  0  0  0  0
   12.4523    0.7241    0.2197 H   0  0  0  0  0
   11.9591    4.2373   -0.1974 H   0  0  0  0  0
   11.8327    2.6546   -0.9749 H   0  0  0  0  0
   10.0772    3.7573    1.3020 H   0  0  0  0  0
    9.5910    3.4154   -0.3738 H   0  0  0  0  0
    3.8935    5.7437   -0.5548 H   0  0  0  0  0
    1.7531    6.9525   -0.8566 H   0  0  0  0  0
   -0.3954    5.7978   -0.4678 H   0  0  0  0  0
   -0.4510    3.4298    0.2143 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  4  1  0  0  0
  2  3  1  0  0  0
  2 29  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  3 32  1  0  0  0
  4  5  1  0  0  0
  4 25  1  0  0  0
  5  6  2  0  0  0
  5 10  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  7  8  2  0  0  0
  7 33  1  0  0  0
  8  9  1  0  0  0
  8 11  1  0  0  0
  9 10  2  0  0  0
  9 34  1  0  0  0
 10 35  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 18 41  1  0  0  0
 18 42  1  0  0  0
 19 43  1  0  0  0
 19 44  1  0  0  0
 20 25  1  0  0  0
 20 21  2  0  0  0
 21 22  1  0  0  0
 21 45  1  0  0  0
 22 23  2  0  0  0
 22 46  1  0  0  0
 23 24  1  0  0  0
 23 47  1  0  0  0
 24 25  2  0  0  0
 24 48  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL419951

>  <PubChem CID>
9862646

>  <Formula>
C20H23N3O2

>  <Molecular Weight>
337.423000

>  <IUPAC Name>
N-(9-propan-2-ylcarbazol-3-yl)morpholine-4-carboxamide

>  <XlogP>
2.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(C)N1C2=C(C=C(C=C2)NC(=O)N3CCOCC3)C4=CC=CC=C41

>  <Isomeric SMILES>
CC(C)N1C2=C(C=C(C=C2)NC(=O)N3CCOCC3)C4=CC=CC=C41

>  <InChI Std. ID>
InChI=1S/C20H23N3O2/c1-14(2)23-18-6-4-3-5-16(18)17-13-15(7-8-19(17)23)21-20(24)22-9-11-25-12-10-22/h3-8,13-14H,9-12H2,1-2H3,(H,21,24)

>  <InChI Key>
AVKGWXGSJRJBHL-UHFFFAOYSA-N

