N-[3-Benzyl-5-(4-Oxo-2,5-Cyclohexadien-1-Ylidene)-4,5-Dihydro-2-Pyrazinyl]-2-(4-Hydroxyphenyl)Acetamide

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Properties Simple | Detailed

Formula C25H21N3O3
IUPAC Name n-[2-benzyl-6-(4-oxocyclohexa-2,5-dien-1-ylidene)-1h-pyrazin-3-yl]-2-(4-hydroxyphenyl)acetamide
Molecular Mass 411.453 g·mol−1
Heat of Formation -30.1 ± 16.7 kJ·mol−1
Dipole Moment 9.89 ± 1.08 D
Volume 490.14 Å 3
Surface Area 412.72 Å 2
HOMO Energy -8.06 ± 0.55 eV
LUMO Energy -1.73 ± eV
Point Group Symmetry C1
Synonyms
  • 2-(4-hydroxyphenyl)-n-[5-(4-oxo-1-cyclohexa-2,5-dienylidene)-3-(phenylmethyl)-4h-pyrazin-2-yl]acetamide
  • 2-(4-hydroxyphenyl)-n-[5-(4-oxo-1-cyclohexa-2,5-dienylidene)-3-(phenylmethyl)-4h-pyrazin-2-yl]ethanamide
  • cei
  • coelenteramide
  • n-[3-(benzyl)-5-(4-keto-1-cyclohexa-2,5-dienylidene)-4h-pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
  • n-[3-benzyl-5-(4-hydroxyphenyl)pyrazin-2-yl]-2-(4-hydroxyphenyl)acetamide
  • oxidized oplophorus luciferin
InChIKey JIAUJOOGSKJAFH-UHFFFAOYSA-N
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