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

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Properties Simple | Detailed

Formula C28H38N4O2
IUPAC Name 11-[2-[4-[4-(diethylamino)butyl]-1-piperidyl]acetyl]benzo[b][1,4]benzodiazepine-5,11-diium-6-one
Molecular Mass 462.627 g·mol−1
Heat of Formation 4039.2 ± 16.7 kJ·mol−1
Dipole Moment 5.04 ± 1.08 D
Volume 524.8 Å 3
Surface Area 480.12 Å 2
HOMO Energy -8.77 ± 0.55 eV
LUMO Energy -2.62 ± eV
Point Group Symmetry C1
Synonyms
  • 11-[2-[4-(4-diethylaminobutyl)-1-piperidinyl]-1-oxoethyl]-5h-benzo[b][1,4]benzodiazepin-6-one
  • 11-[2-[4-(4-diethylaminobutyl)-1-piperidyl]acetyl]-5h-benzo[b][1,4]benzodiazepin-6-one
  • 11-[2-[4-(4-diethylaminobutyl)piperidin-1-yl]acetyl]-5h-benzo[b][1,4]benzodiazepin-6-one
  • 11-[2-[4-(4-diethylaminobutyl)piperidin-1-yl]ethanoyl]-5h-benzo[b][1,4]benzodiazepin-6-one
  • 11h-dibenzo(b,c)(1,4)diazepin-11-one, 5-((4-(4-(diethylamino)butyl)-1-piperidinyl)acetyl)-5,10-dihydro-
  • 5-((4-(4-(diethylamino)butyl)-1-piperidinyl)acetyl)-10,11-dihydrobenzo(b,e)(1,4)diazepine-11-one
  • 5-((4-(4-(diethylamino)butyl)-1-piperidinyl)acetyl)-5,10-dihydro-11h-dibenzo(b,c)(1,4)diazepin-11-one
  • 5-((4-(4-(diethylamino)butyl)-1-piperidinyl)acetyl)-5,10-dihydro-11h-dibenzo[b,e][1,4]diazepin-11-one
CAS Number(s)
  • 142860-99-9
InChIKey SRLMLQNXERJQPS-UHFFFAOYSA-N
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