5-({4-[4-(Diisobutylamino)Butyl]Phenyl}Acetyl)-5,10-Dihydro-11H-Dibenzo[B,E][1,4]Diazepin-11-One

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Properties Simple | Detailed

Formula C33H41N3O2
IUPAC Name 11-[2-[4-[4-(diisobutylamino)butyl]phenyl]acetyl]benzo[b][1,4]benzodiazepine-5,11-diium-6-one
Molecular Mass 511.698 g·mol−1
Heat of Formation -286.5 ± 16.7 kJ·mol−1
Dipole Moment 1.96 ± 1.08 D
Volume 657.25 Å 3
Surface Area 442.76 Å 2
HOMO Energy -8.64 ± 0.55 eV
LUMO Energy 2.47 ± eV
Point Group Symmetry C1
Synonyms
  • 11-[2-[4-[4-(bis(2-methylpropyl)amino)butyl]phenyl]ethanoyl]-5h-benzo[b][1,4]benzodiazepin-6-one
  • 11-[2-[4-[4-(diisobutylamino)butyl]phenyl]-1-oxoethyl]-5h-benzo[b][1,4]benzodiazepin-6-one
  • 11-[2-[4-[4-(diisobutylamino)butyl]phenyl]acetyl]-5h-benzo[b][1,4]benzodiazepin-6-one
  • 11h-dibenzo(b,e)(1,4)diazepin-11-one, 5-((4-(4-(bis(2-methylpropyl)amino)butyl)phenyl)acetyl)-5,10-dihydro-
  • 5-((4-(4-(bis(2-methylpropyl)amino)butyl)phenyl)acetyl)-5,10-dihydro-11h-dibenzo(b,e)(1,4)diazepin-11-one
  • 5-((4-(4-(diisobutylamino)butyl)-1-phenyl)acetyl)-10,11-dihydro-5h-dibenzo(b,e)(1,4)diazepin-11-one
  • dibd
CAS Number(s)
  • 156586-94-6
InChIKey NWABYTQGWGJUFJ-UHFFFAOYSA-N
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