4-Amino-5-Chloro-N-[(3S,4R)-1-{4-[4-(Dimethylamino)-1-Piperidinyl]-4-Oxobutyl}-3-Methoxy-4-Piperidinyl]-2-Methoxybenzamide

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Properties Simple | Detailed

Formula C25H40ClN5O4
IUPAC Name 4-chloro-2-[5-(4-hydroxybuta-1,3-diynyl)-2,4-dihydrooxazolo[5,4-c]pyridine-1-carbonyl]but-3-ynoyl cyanide; [(e)-2-cyanopent-1-en-3-ynyl]-methylidyne-ammonium
Molecular Mass 510.069 g·mol−1
Heat of Formation -711.0 ± 16.7 kJ·mol−1
Dipole Moment 10.85 ± 1.08 D
Volume 625.74 Å 3
Surface Area 528.73 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy 2.85 ± eV
Point Group Symmetry C1
Synonyms
  • 4-amino-5-chloro-n-(1-(4-(4-(dimethylamino)-1-piperidinyl)-4-oxobutyl)-3-methoxy-4-piperidinyl)-2-methoxybenzamide
  • 4-amino-5-chloro-n-[(3s,4r)-1-[4-(4-dimethylamino-1-piperidinyl)-4-oxobutyl]-3-methoxy-4-piperidinyl]-2-methoxybenzamide
  • 4-amino-5-chloro-n-[(3s,4r)-1-[4-(4-dimethylamino-1-piperidyl)-4-keto-butyl]-3-methoxy-4-piperidyl]-2-methoxy-benzamide
  • 4-amino-5-chloro-n-[(3s,4r)-1-[4-(4-dimethylamino-1-piperidyl)-4-oxo-butyl]-3-methoxy-4-piperidyl]-2-methoxy-benzamide
  • 4-amino-5-chloro-n-[(3s,4r)-1-[4-(4-dimethylaminopiperidin-1-yl)-4-oxo-butyl]-3-methoxy-piperidin-4-yl]-2-methoxy-benzamide
  • benzamide, 4-amino-5-chloro-n-(1-(4-(4-(dimethylamino)-1-piperidinyl)-4-oxobutyl)-3-methoxy-4-piperidinyl)-2-methoxy-, cis-
  • pdsp1_001619
  • pdsp2_001603
  • r 76186
  • r-76186
CAS Number(s)
  • 122866-79-9
InChIKey YEXQFGBCXUNVRL-GGAORHGYSA-N
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Elements H C N O Cl