1-{[1-(4-Cyanobenzyl)-1H-Imidazol-5-Yl]Acetyl}-5-(1-Naphthyl)-1,2,3,6-Tetrahydro-4-Pyridinecarbonitrile

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Properties Simple | Detailed

Formula C29H23N5O
IUPAC Name 1-[2-[3-[(4-cyanophenyl)methyl]-2h-imidazol-3-ium-2-ylium-4-yl]acetyl]-5-(1-naphthyl)-3,6-dihydro-2h-pyridine-4-carbonitrile
Molecular Mass 457.526 g·mol−1
Heat of Formation 516.8 ± 16.7 kJ·mol−1
Dipole Moment 4.49 ± 1.08 D
Volume 556.13 Å 3
Surface Area 450.56 Å 2
HOMO Energy -9.09 ± 0.55 eV
LUMO Energy -1.16 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[2-[3-(4-cyanobenzyl)imidazol-4-yl]acetyl]-3-(1-naphthyl)-5,6-dihydro-2h-pyridine-4-carbonitrile
  • 1-[2-[3-[(4-cyanophenyl)methyl]-4-imidazolyl]-1-oxoethyl]-3-(1-naphthyl)-5,6-dihydro-2h-pyridine-4-carbonitrile
  • 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetyl]-3-(1-naphthyl)-5,6-dihydro-2h-pyridine-4-carbonitrile
  • 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]acetyl]-3-naphthalen-1-yl-5,6-dihydro-2h-pyridine-4-carbonitrile
  • 1-[2-[3-[(4-cyanophenyl)methyl]imidazol-4-yl]ethanoyl]-3-naphthalen-1-yl-5,6-dihydro-2h-pyridine-4-carbonitrile
  • 1-{2-[3-(4-cyano-benzyl)-3h-imidazol-4-yl]-acetyl}-5-naphthalen-1-yl-1,2,3,6-tetrahydro-pyridine-4-carbonitrile
  • fti
InChIKey KXPIURLUHSBSHE-UHFFFAOYSA-N
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