N-(4-(4-(2,3-Dichlorophenyl)Piperazin-1-Yl)But-2-Enyl)-4-Pyridine-2-Ylbenzamide

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Formula C25H13Cl2N4O
IUPAC Name 1-[4-[4-[2-(2,3-dichloro-n-ethynyl-anilino)ethynylamino]buta-1,3-diynylcarbamoyl]phenyl]prop-2-ynyl-methylidyne-ammonium
Molecular Mass 456.303 g·mol−1
Heat of Formation 205.4 ± 16.7 kJ·mol−1
Dipole Moment 4.68 ± 1.08 D
Volume 558.43 Å 3
Surface Area 491.82 Å 2
HOMO Energy -8.91 ± 0.55 eV
LUMO Energy 2.14 ± eV
Point Group Symmetry C1
Synonyms
  • n-[(e)-4-[4-(2,3-dichlorophenyl)-1-piperazinyl]but-2-enyl]-4-(2-pyridyl)benzamide
  • n-[(e)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]-4-(2-pyridyl)benzamide
  • n-[(e)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]-4-pyridin-2-yl-benzamide
  • n-[(e)-4-[4-(2,3-dichlorophenyl)piperazin-1-yl]but-2-enyl]-4-pyridin-2-ylbenzamide
InChIKey ZMYOIZHRXABMFZ-ONEGZZNKSA-N
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Elements H C N O Cl