1-(((3-(2-Aminoethyl)Indol-5-Yl)Oxy)Acetyl)-4-(P-Cyanophenyl)Piperazine.

Molecule SVG Image

Properties Simple | Detailed

Formula C23H25N5O2
IUPAC Name 4-[4-[2-[3-(2-aminoethyl)indol-1-ium-5-yl]oxyacetyl]piperazin-1-yl]benzonitrile
Molecular Mass 403.477 g·mol−1
Heat of Formation 122.9 ± 16.7 kJ·mol−1
Dipole Moment 5.97 ± 1.08 D
Volume 487.25 Å 3
Surface Area 438.4 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.59 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-[2-[[3-(2-aminoethyl)-1h-indol-5-yl]oxy]-1-oxoethyl]-1-piperazinyl]benzonitrile
  • 4-[4-[2-[[3-(2-aminoethyl)-1h-indol-5-yl]oxy]acetyl]piperazin-1-yl]benzonitrile
  • 4-[4-[2-[[3-(2-aminoethyl)-1h-indol-5-yl]oxy]ethanoyl]piperazin-1-yl]benzonitrile
  • donitriptan
CAS Number(s)
  • 170912-52-4
InChIKey SOHCKWZVTCTQBG-UHFFFAOYSA-N
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