4-(2,3-Dihydro-4H-Naphtho[2,3-B][1,4]Oxazin-4-Ylmethyl)-1,5-Dimethyl-2-Phenyl-1,2-Dihydro-3H-Pyrazol-3-One

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Properties Simple | Detailed

Formula C24H23N3O2
IUPAC Name (1r)-4-[[(4s)-2,3-dihydrobenzo[g][1,4]benzoxazin-4-yl]methyl]-1,5-dimethyl-2-phenyl-pyrazol-3-one
Molecular Mass 385.458 g·mol−1
Heat of Formation 114.1 ± 16.7 kJ·mol−1
Dipole Moment 5.56 ± 1.08 D
Volume 461.79 Å 3
Surface Area 365.51 Å 2
HOMO Energy -7.98 ± 0.55 eV
LUMO Energy -0.39 ± eV
Point Group Symmetry C1
Synonyms
  • 1-phenyl-2,3-dimethyl-4-naphthalanmorpholinomethylpyrazolin-5-one
  • 3h-pyrazol-3-one, 4-((2,3-dihydro-4h-naphth(2,3-b)-1,4-oxazin-4-yl)methyl)-1,2-dihydro-1,5-dimethyl-2-phenyl-
  • 4-(2,3-dihydrobenzo[g][1,4]benzoxazin-4-ylmethyl)-1,5-dimethyl-2-phenyl-3-pyrazolone
  • 4-(2,3-dihydrobenzo[g][1,4]benzoxazin-4-ylmethyl)-1,5-dimethyl-2-phenyl-pyrazol-3-one
  • 4-(2,3-dihydrobenzo[g][1,4]benzoxazin-4-ylmethyl)-1,5-dimethyl-2-phenylpyrazol-3-one
  • pdnmp
CAS Number(s)
  • 61517-79-1
InChIKey BQJIDWIHEUCDOY-UHFFFAOYSA-N
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