Anastrozole

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Properties Simple | Detailed

Formula C17H19N5
IUPAC Name 2-[3-(4-aza-1-azonia-2-azanidacyclopenta-3,5-dien-1-ylmethyl)-5-(1-cyano-1-methyl-ethyl)phenyl]-2-methyl-propanenitrile
Molecular Mass 293.366 g·mol−1
Heat of Formation 431.6 ± 16.7 kJ·mol−1
Dipole Moment 4.57 ± 1.08 D
Volume 383.97 Å 3
Surface Area 327.27 Å 2
HOMO Energy -10.25 ± 0.55 eV
LUMO Energy 1.29 ± eV
Point Group Symmetry C1
Synonyms
  • .alpha.,alpha.,.alpha.',.alpha.'-tetramethyl-5(1h-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile
  • 1,3-benzenediacetonitrile, alpha,alpha,alpha',alpha'-tetramethyl-5-(1h-1,2,4-triazol-1-ylmethyl)-
  • 1,3-benzenediacetonitrile,.alpha.,alpha.,alpha.',.alpha.'-tetramethyl-5-(1h-1,2,4-triazol-1-ylmethyl)-
  • 2,2'-[5-(1h-1,2,4-triazol-1-ylmethyl)benzene-1,3-diyl]bis(2-methylpropanenitrile)
  • 2-[3-(1-cyano-1-methyl-ethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile
  • 2-[3-(1-cyano-1-methyl-ethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propionitrile
  • 2-[3-(1-cyano-1-methylethyl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
  • 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methyl-propanenitrile
  • 2-[3-(2-cyanopropan-2-yl)-5-(1,2,4-triazol-1-ylmethyl)phenyl]-2-methylpropanenitrile
  • alpha,alpha,alpha',alpha'-tetramethyl-5-(1h-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile
  • anastrole
  • anastrozole (jan/usan/inn)
  • arimidex
  • arimidex (zeneca)
  • d00960
  • ici d1033
  • ici-d 1033
  • ici-d1033
  • ls-29563
  • zd 1033
  • zd-1033
  • zd1033
CAS Number(s)
  • 120511-73-1
InChIKey YBBLVLTVTVSKRW-UHFFFAOYSA-N
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