
 CHEMBL558801

 49 52  0  0  0  0  0  0  0  0999 V2000
   -1.1979   -0.0270    2.0422 C   0  0  0  0  0
    0.3210   -0.0412    1.9899 C   0  0  0  0  0
    0.8291   -0.3425    0.5819 C   0  0  0  0  0
    2.2865   -0.3609    0.5174 N   0  0  0  0  0
    3.1006    0.7220    0.2652 C   0  0  0  0  0
    4.4239    0.2741    0.2436 C   0  0  0  0  0
    4.3924   -1.1211    0.5960 C   0  0  0  0  0
    5.3775   -2.1119    0.8209 C   0  0  0  0  0
    5.0028   -3.4332    1.0912 C   0  0  0  0  0
    3.6621   -3.7829    1.1663 C   0  0  0  0  0
    2.6657   -2.8217    0.9917 C   0  0  0  0  0
    3.0500   -1.4969    0.7117 C   0  0  0  0  0
    5.5681    1.1486   -0.0744 C   0  0  0  0  0
    5.5057    2.3643    0.1098 O   0  0  0  0  0
    6.7942    0.5929   -0.7343 C   0  0  0  0  0
    6.6181   -0.4148   -1.7010 C   0  0  0  0  0
    7.7082   -0.9523   -2.3745 C   0  0  0  0  0
    8.9826   -0.4544   -2.1294 C   0  0  0  0  0
    9.1895    0.5870   -1.2136 C   0  0  0  0  0
    8.0978    1.1299   -0.4853 C   0  0  0  0  0
    8.4011    2.1749    0.4306 C   0  0  0  0  0
    9.6972    2.6929    0.5867 C   0  0  0  0  0
   10.7385    2.1403   -0.1535 C   0  0  0  0  0
   10.4866    1.0935   -1.0370 C   0  0  0  0  0
    9.9723    3.8216    1.5362 C   0  0  0  0  0
    2.5933    2.1113    0.0406 C   0  0  0  0  0
   -1.5403    0.1653    3.0639 H   0  0  0  0  0
   -1.6112   -0.9886    1.7213 H   0  0  0  0  0
   -1.6048    0.7562    1.3946 H   0  0  0  0  0
    0.6975   -0.7933    2.6938 H   0  0  0  0  0
    0.7032    0.9278    2.3321 H   0  0  0  0  0
    0.4620    0.3889   -0.1449 H   0  0  0  0  0
    0.4628   -1.3151    0.2353 H   0  0  0  0  0
    6.4349   -1.8653    0.7826 H   0  0  0  0  0
    5.7688   -4.1892    1.2441 H   0  0  0  0  0
    3.3821   -4.8134    1.3740 H   0  0  0  0  0
    1.6215   -3.1057    1.0752 H   0  0  0  0  0
    5.6269   -0.7911   -1.9445 H   0  0  0  0  0
    7.5635   -1.7474   -3.1016 H   0  0  0  0  0
    9.8213   -0.8780   -2.6789 H   0  0  0  0  0
    7.6073    2.6186    1.0297 H   0  0  0  0  0
   11.7511    2.5236   -0.0517 H   0  0  0  0  0
   11.3206    0.6836   -1.6035 H   0  0  0  0  0
    9.0480    4.2291    1.9583 H   0  0  0  0  0
   10.4847    4.6376    1.0151 H   0  0  0  0  0
   10.6007    3.4738    2.3621 H   0  0  0  0  0
    3.0362    2.7965    0.7708 H   0  0  0  0  0
    1.5105    2.2047    0.1420 H   0  0  0  0  0
    2.8630    2.4515   -0.9646 H   0  0  0  0  0
  1  2  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  1 29  1  0  0  0
  2  3  1  0  0  0
  2 30  1  0  0  0
  2 31  1  0  0  0
  3  4  1  0  0  0
  3 32  1  0  0  0
  3 33  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  5 26  1  0  0  0
  6  7  1  0  0  0
  6 13  1  0  0  0
  7 12  1  0  0  0
  7  8  2  0  0  0
  8  9  1  0  0  0
  8 34  1  0  0  0
  9 10  2  0  0  0
  9 35  1  0  0  0
 10 11  1  0  0  0
 10 36  1  0  0  0
 11 12  2  0  0  0
 11 37  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 38  1  0  0  0
 17 18  2  0  0  0
 17 39  1  0  0  0
 18 19  1  0  0  0
 18 40  1  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 21 22  2  0  0  0
 21 41  1  0  0  0
 22 23  1  0  0  0
 22 25  1  0  0  0
 23 24  2  0  0  0
 23 42  1  0  0  0
 24 43  1  0  0  0
 25 44  1  0  0  0
 25 45  1  0  0  0
 25 46  1  0  0  0
 26 47  1  0  0  0
 26 48  1  0  0  0
 26 49  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL558801

>  <PubChem CID>
11473309

>  <Formula>
C24H23NO

>  <Molecular Weight>
341.454000

>  <IUPAC Name>
(7-methylnaphthalen-1-yl)-(2-methyl-1-propylindol-3-yl)methanone

>  <XlogP>
6.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=C3C=C(C=C4)C)C

>  <Isomeric SMILES>
CCCN1C(=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=C3C=C(C=C4)C)C

>  <InChI Std. ID>
InChI=1S/C24H23NO/c1-4-14-25-17(3)23(20-9-5-6-11-22(20)25)24(26)19-10-7-8-18-13-12-16(2)15-21(18)19/h5-13,15H,4,14H2,1-3H3

>  <InChI Key>
AYSKEJYDZUJEIT-UHFFFAOYSA-N

