4-Amino-N-[2-(N''-Cyano-N'-{3-[3-(Piperidin-1-Ylmethyl)Phenoxy]Propyl}Carbamimidamido)Ethyl]Benzamide

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Properties Simple | Detailed

Formula C26H35N7O2
IUPAC Name 4-amino-n-[2-[[(z)-n-cyano-n'-[3-[3-(1-piperidylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]benzamide
Molecular Mass 477.602 g·mol−1
Heat of Formation -15.9 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 615.02 Å 3
Surface Area 451.61 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy 2.96 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-n-[2-[[(cyanoamino)-[3-[3-(1-piperidylmethyl)phenoxy]propylimino]methyl]amino]ethyl]benzamide
  • 4-amino-n-[2-[[n-cyano-n'-[3-[3-(1-piperidylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]benzamide
  • 4-amino-n-[2-[[n-cyano-n'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]benzamide
  • 4-amino-n-[2-[[n-cyano-n'-[3-[3-(piperidinomethyl)phenoxy]propyl]carbamimidoyl]amino]ethyl]benzamide
InChIKey CICDSYWWNDGAGD-UHFFFAOYSA-N
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