
 1-Pentyl-3-(1-naphthoyl)indole

 49 52  0  0  0  0  0  0  0  0999 V2000
    4.6552    3.0983    4.0502 C   0  0  0  0  0
    4.4657    1.6508    3.6206 C   0  0  0  0  0
    5.1849    1.3020    2.3145 C   0  0  0  0  0
    4.6690    2.0934    1.1076 C   0  0  0  0  0
    5.3470    1.6968   -0.2093 C   0  0  0  0  0
    6.7886    1.8931   -0.2088 N   0  0  0  0  0
    7.3963    3.1133   -0.0339 C   0  0  0  0  0
    8.7619    2.9140    0.0689 C   0  0  0  0  0
    8.9868    1.5240   -0.2063 C   0  0  0  0  0
   10.1520    0.7303   -0.3043 C   0  0  0  0  0
   10.0459   -0.6426   -0.5390 C   0  0  0  0  0
    8.7967   -1.2379   -0.6656 C   0  0  0  0  0
    7.6254   -0.4786   -0.5727 C   0  0  0  0  0
    7.7416    0.9047   -0.3495 C   0  0  0  0  0
    9.7908    3.9089    0.3897 C   0  0  0  0  0
   10.9369    3.7806   -0.0340 O   0  0  0  0  0
    9.4764    5.0329    1.3385 C   0  0  0  0  0
    8.5630    4.7830    2.3823 C   0  0  0  0  0
    8.2826    5.7546    3.3356 C   0  0  0  0  0
    8.9429    6.9761    3.2866 C   0  0  0  0  0
    9.8872    7.2486    2.2868 C   0  0  0  0  0
   10.5659    8.4790    2.3045 C   0  0  0  0  0
   11.5193    8.7901    1.3389 C   0  0  0  0  0
   11.7914    7.8803    0.3295 C   0  0  0  0  0
   11.1193    6.6545    0.2947 C   0  0  0  0  0
   10.1647    6.2856    1.2789 C   0  0  0  0  0
    4.2416    3.2510    5.0522 H   0  0  0  0  0
    4.1398    3.7867    3.3739 H   0  0  0  0  0
    5.7158    3.3670    4.0763 H   0  0  0  0  0
    3.3952    1.4348    3.5279 H   0  0  0  0  0
    4.8534    0.9993    4.4130 H   0  0  0  0  0
    5.0570    0.2295    2.1231 H   0  0  0  0  0
    6.2593    1.4729    2.4498 H   0  0  0  0  0
    4.8118    3.1666    1.2763 H   0  0  0  0  0
    3.5892    1.9311    1.0047 H   0  0  0  0  0
    4.9506    2.3019   -1.0338 H   0  0  0  0  0
    5.1288    0.6512   -0.4415 H   0  0  0  0  0
    6.8031    4.0146    0.0573 H   0  0  0  0  0
   11.1332    1.1881   -0.2014 H   0  0  0  0  0
   10.9482   -1.2435   -0.6182 H   0  0  0  0  0
    8.7298   -2.3095   -0.8399 H   0  0  0  0  0
    6.6607   -0.9654   -0.6724 H   0  0  0  0  0
    8.0777    3.8153    2.4865 H   0  0  0  0  0
    7.5701    5.5509    4.1309 H   0  0  0  0  0
    8.7260    7.7161    4.0551 H   0  0  0  0  0
   10.3652    9.2077    3.0875 H   0  0  0  0  0
   12.0470    9.7392    1.3777 H   0  0  0  0  0
   12.5328    8.1120   -0.4311 H   0  0  0  0  0
   11.3711    5.9788   -0.5201 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  5  1  0  0  0
  4 34  1  0  0  0
  4 35  1  0  0  0
  5  6  1  0  0  0
  5 36  1  0  0  0
  5 37  1  0  0  0
  6 14  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7 38  1  0  0  0
  8  9  1  0  0  0
  8 15  1  0  0  0
  9 14  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 39  1  0  0  0
 11 12  2  0  0  0
 11 40  1  0  0  0
 12 13  1  0  0  0
 12 41  1  0  0  0
 13 14  2  0  0  0
 13 42  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  2  0  0  0
 17 26  1  0  0  0
 18 19  1  0  0  0
 18 43  1  0  0  0
 19 20  2  0  0  0
 19 44  1  0  0  0
 20 21  1  0  0  0
 20 45  1  0  0  0
 21 22  2  0  0  0
 21 26  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
 24 48  1  0  0  0
 25 26  2  0  0  0
 25 49  1  0  0  0
M  END

>  <Chemical Name>
1-Pentyl-3-(1-naphthoyl)indole

>  <PubChem CID>
10382701

>  <Formula>
C24H23NO

>  <Molecular Weight>
341.454000

>  <IUPAC Name>
naphthalen-1-yl-(1-pentylindol-3-yl)methanone

>  <XlogP>
6.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43

>  <Isomeric SMILES>
CCCCCN1C=C(C2=CC=CC=C21)C(=O)C3=CC=CC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C24H23NO/c1-2-3-8-16-25-17-22(20-13-6-7-15-23(20)25)24(26)21-14-9-11-18-10-4-5-12-19(18)21/h4-7,9-15,17H,2-3,8,16H2,1H3

>  <InChI Key>
JDNLPKCAXICMBW-UHFFFAOYSA-N

