4-Amino-N-[2-(N'-Cyano-N''-{3-[3-(1-Piperidinylmethyl)Phenoxy]Propyl}Carbamimidamido)Ethyl]-3-Iodobenzamide

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Properties Simple | Detailed

Formula C26H34IN7O2
IUPAC Name (e)-4-cyano-n-[2-[[(z)-n-cyano-n'-[3-[3-(1-piperidylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]-2-ethynyl-4-iodo-but-2-enamide
Molecular Mass 603.498 g·mol−1
Heat of Formation 47.8 ± 16.7 kJ·mol−1
Dipole Moment 4.69 ± 1.08 D
Volume 653.24 Å 3
Surface Area 464.67 Å 2
HOMO Energy -8.56 ± 0.55 eV
LUMO Energy -0.34 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-n-[2-[[(cyanoamino)-[3-[3-(1-piperidylmethyl)phenoxy]propylimino]methyl]amino]ethyl]-3-iodobenzamide
  • 4-amino-n-[2-[[n-cyano-n'-[3-[3-(1-piperidylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]-3-iodo-benzamide
  • 4-amino-n-[2-[[n-cyano-n'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]-3-iodo-benzamide
  • 4-amino-n-[2-[[n-cyano-n'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]-3-iodobenzamide
  • 4-amino-n-[2-[[n-cyano-n'-[3-[3-(piperidinomethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]-3-iodo-benzamide
  • benzamide, 4-amino-n-(2-(((cyanoamino)((3-(3-(1-piperidinylmethyl)phenoxy)propyl)amino)methylene)amino)ethyl)-3-iodo-
  • i-apt
  • iodoaminopotentidine
  • n-(2-(4-amino-3-iodobenzamido)ethyl)-n'-cyano-n''(3-(3-(1-piperidinylmethyl)phenoxy)propyl)guanidine
CAS Number(s)
  • 126632-01-7
InChIKey VJTYCMQYDRXNNY-UHFFFAOYSA-N
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