
 GTPL9586

 34 37  0  0  0  0  0  0  0  0999 V2000
   -1.3112   -1.6590    0.0012 C   0  0  0  0  0
   -2.4404   -0.6022    0.0689 C   0  0  0  0  0
   -1.7977    0.6897   -0.2312 N   0  0  0  0  0
   -0.4058    0.5459   -0.1612 C   0  0  0  0  0
    0.5769    1.5161   -0.2512 C   0  0  0  0  0
    1.9117    1.1126   -0.1457 C   0  0  0  0  0
    2.2409   -0.2405    0.0342 C   0  0  0  0  0
    1.2410   -1.2118    0.1089 C   0  0  0  0  0
   -0.0785   -0.8007    0.0143 C   0  0  0  0  0
   -2.4957    1.8146   -0.5754 C   0  0  0  0  0
   -3.7101    1.8866   -0.7273 O   0  0  0  0  0
   -3.0849   -0.5420    1.4364 C   0  0  0  0  0
   -2.4717   -0.2309    2.6397 C   0  0  0  0  0
   -3.4062   -0.2984    3.6351 N   0  0  0  0  0
   -4.6268   -0.6595    3.1182 C   0  0  0  0  0
   -5.8549   -0.8516    3.7630 C   0  0  0  0  0
   -6.9521   -1.2094    2.9753 C   0  0  0  0  0
   -6.8237   -1.3654    1.5980 C   0  0  0  0  0
   -5.5880   -1.1695    0.9698 C   0  0  0  0  0
   -4.4617   -0.8119    1.7407 C   0  0  0  0  0
   -1.3290   -2.3747    0.8287 H   0  0  0  0  0
   -1.3552   -2.2007   -0.9506 H   0  0  0  0  0
   -3.2002   -0.8042   -0.6952 H   0  0  0  0  0
    0.3443    2.5659   -0.3836 H   0  0  0  0  0
    2.7054    1.8541   -0.2038 H   0  0  0  0  0
    3.2855   -0.5343    0.1091 H   0  0  0  0  0
    1.4954   -2.2598    0.2312 H   0  0  0  0  0
   -1.8572    2.6934   -0.7495 H   0  0  0  0  0
   -1.4481    0.0393    2.8643 H   0  0  0  0  0
   -3.2325   -0.1085    4.6120 H   0  0  0  0  0
   -5.9595   -0.7222    4.8350 H   0  0  0  0  0
   -7.9214   -1.3599    3.4447 H   0  0  0  0  0
   -7.6914   -1.6332    1.0006 H   0  0  0  0  0
   -5.5092   -1.2788   -0.1076 H   0  0  0  0  0
  1  9  1  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 12  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  3 10  1  0  0  0
  4  9  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  6  7  2  0  0  0
  6 25  1  0  0  0
  7  8  1  0  0  0
  7 26  1  0  0  0
  8  9  2  0  0  0
  8 27  1  0  0  0
 10 11  2  0  0  0
 10 28  1  0  0  0
 12 20  1  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 14 15  1  0  0  0
 14 30  1  0  0  0
 15 20  1  0  0  0
 15 16  2  0  0  0
 16 17  1  0  0  0
 16 31  1  0  0  0
 17 18  2  0  0  0
 17 32  1  0  0  0
 18 19  1  0  0  0
 18 33  1  0  0  0
 19 20  2  0  0  0
 19 34  1  0  0  0
M  END

>  <Chemical Name>
GTPL9586

>  <PubChem CID>
129320516

>  <Formula>
C17H14N2O

>  <Molecular Weight>
262.312000

>  <IUPAC Name>
2-(1H-indol-3-yl)-2,3-dihydroindole-1-carbaldehyde

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1C(N(C2=CC=CC=C21)C=O)C3=CNC4=CC=CC=C43

>  <Isomeric SMILES>
C1C(N(C2=CC=CC=C21)C=O)C3=CNC4=CC=CC=C43

>  <InChI Std. ID>
InChI=1S/C17H14N2O/c20-11-19-16-8-4-1-5-12(16)9-17(19)14-10-18-15-7-3-2-6-13(14)15/h1-8,10-11,17-18H,9H2

>  <InChI Key>
GFACBUCIUAKRSV-UHFFFAOYSA-N

