N-[4-({(5Z)-5-[2-(1,4'-Bipiperidin-1'-Yl)-2-Oxoethylidene]-4,4-Difluoro-2,3,4,5-Tetrahydro-1H-1-Benzazepin-1-Yl}Carbonyl)Phenyl]-2-Methyl-3-Furamide

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Properties Simple | Detailed

Formula C22H16F2N4O4
IUPAC Name 1-[3-aminooxy-2-[5,5-difluoro-6-(2-hydroxyethynyl)-8-methylene-2-azabicyclo[5.2.0]nona-3,6-diene-2-carbonyl]-4-pyridyl]-3,4-dimethylene-azetidin-2-one
Molecular Mass 438.384 g·mol−1
Heat of Formation -824.4 ± 16.7 kJ·mol−1
Dipole Moment 6.63 ± 1.08 D
Volume 721.06 Å 3
Surface Area 552.96 Å 2
HOMO Energy -8.63 ± 0.55 eV
LUMO Energy 2.52 ± eV
Point Group Symmetry C1
Synonyms
  • n-[4-[(5z)-4,4-difluoro-5-[2-keto-2-(4-piperidino-1-piperidyl)ethylidene]2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-methyl-3-furamide
  • n-[4-[(5z)-4,4-difluoro-5-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethylidene]2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-methylfuran-3-carboxamide
  • n-[4-[(5z)-4,4-difluoro-5-[2-oxo-2-[4-(1-piperidyl)-1-piperidyl]ethylidene]2,3-dihydro-1-benzazepine-1-carbonyl]phenyl]-2-methyl-furan-3-carboxamide
  • n-[4-[[(5z)-4,4-difluoro-5-[2-oxo-2-(4-piperidin-1-ylpiperidin-1-yl)ethylidene]-2,3-dihydro-1-benzazepin-1-yl]carbonyl]phenyl]-2-methyl-furan-3-carboxamide
  • n-[4-[[(5z)-4,4-difluoro-5-[2-oxo-2-[4-(1-piperidyl)-1-piperidinyl]ethylidene]-2,3-dihydro-1-benzazepin-1-yl]-oxomethyl]phenyl]-2-methyl-3-furancarboxamide
InChIKey VDUUABBYYOPFAW-WMMMYUQOSA-N
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