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 C25H25N3O3
IUPAC Name n-[3-benzyl-5-(4-oxocyclohexa-2,5-dien-1-ylidene)piperazine-1,2,3,6-tetraid-2-yl]-2-(4-hydroxyphenyl)acetamide
Molecular Mass 415.484 g·mol−1
Heat of Formation -29.6 ± 16.7 kJ·mol−1
Dipole Moment 9.71 ± 1.08 D
Volume 490.03 Å 3
Surface Area 386.1 Å 2
HOMO Energy -8.11 ± 0.55 eV
LUMO Energy -1.40 ± 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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