4-{(1E)-3-[(2-{[2,4-Dichloro-3-({[2-Methyl-4-(2-Pyridinylmethoxy)-8-Quinolinyl]Oxy}Methyl)Phenyl](Methyl)Amino}-2-Oxoethyl)Amino]-3-Oxo-1-Propen-1-Yl}-N-Methylbenzamide

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Properties Simple | Detailed

Formula C37H33Cl2N5O5
IUPAC Name 4-[(e)-3-[[2-[2,4-dichloro-n-methyl-3-[[2-methyl-4-(2-pyridylmethoxy)-8-quinolyl]oxymethyl]anilino]-2-oxo-ethyl]amino]-3-oxo-prop-1-enyl]-n-methyl-benzamide
Molecular Mass 698.594 g·mol−1
Heat of Formation -324.3 ± 16.7 kJ·mol−1
Dipole Moment 2.54 ± 1.08 D
Volume 812.99 Å 3
Surface Area 644.24 Å 2
HOMO Energy -8.33 ± 0.55 eV
LUMO Energy -1.07 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(e)-3-[[2-[[2,4-dichloro-3-[[2-methyl-4-(2-pyridylmethoxy)-8-quinolyl]oxymethyl]phenyl]-methyl-amino]-2-keto-ethyl]amino]-3-keto-prop-1-enyl]-n-methyl-benzamide
  • 4-[(e)-3-[[2-[[2,4-dichloro-3-[[2-methyl-4-(2-pyridylmethoxy)-8-quinolyl]oxymethyl]phenyl]-methyl-amino]-2-oxo-ethyl]amino]-3-oxo-prop-1-enyl]-n-methyl-benzamide
  • 4-[(e)-3-[[2-[[2,4-dichloro-3-[[2-methyl-4-(2-pyridylmethoxy)-8-quinolyl]oxymethyl]phenyl]-methylamino]-2-oxoethyl]amino]-3-oxoprop-1-enyl]-n-methylbenzamide
  • 4-[(e)-3-[[2-[[2,4-dichloro-3-[[2-methyl-4-(pyridin-2-ylmethoxy)quinolin-8-yl]oxymethyl]phenyl]-methyl-amino]-2-oxo-ethyl]amino]-3-oxo-prop-1-enyl]-n-methyl-benzamide
  • fr190997
InChIKey YFMDLMSUZMRKKH-SFQUDFHCSA-N
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