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Home> Encyclopedia > Hot Product Listed 2   > 2-Piperazinone,4-benzoyl-1-(phenylmethyl)-
94135-09-8 structure

2-Piperazinone,4-benzoyl-1-(phenylmethyl)-

Iupac Name:3-[(2E)-1-(1H-indol-3-yl)-3,7-dimethylocta-2,6-dienyl]-1H-indole
CAS No.:94135-09-8
EINECS(EC#): 243-199-1
Molecular Weight:368.524
Molecular Formula:C12H22O2 (isomer)
Names and Identifiers
Synonyms

4-benzoyl-1-(phenylmethyl)piperazinone 4-benzoyl-1-benzyl-2-piperazinone 4-benzoyl-1-benzylpiperazin-2-one brn 4513114 DTXSID50147974 HE257991 LS-113808 piperazinone, 4-benzoyl-1-(phenylmethyl)- Piperazinone,4-benzoyl-1-(phenylmethyl)- (9CI)

Inchi
InChI=1S/C26H28N2/c1-18(2)9-8-10-19(3)15-22(23-16-27-25-13-6-4-11-20(23)25)24-17-28-26-14-7-5-12-21(24)26/h4-7,9,11-17,22,27-28H,8,10H2,1-3H3/b19-15+
InChkey
PDIXICHEAZLDNO-XDJHFCHBSA-N
Canonical Smiles
CC(=CCCC(=CC(C1=CNC2=CC=CC=C21)C3=CNC4=CC=CC=C43)C)C
Properties
Boiling Point
481.5°C at 760 mmHg
Refractive Index
1.658
Flash Point
218.1°C
Computational chemical data
  • Molecular Weight:368.524g/mol
  • Molecular Formula:C12H22O2
  • Compound Is Canonicalized:True
  • Exact Mass:368.225
  • Monoisotopic Mass:368.225
  • Complexity:541
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:31.6A^2
  • Heavy Atom Count:28
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:1
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7AAAAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgB/gAAHAAQAAAADQjBHgQ+wPLJkACg AzRnRACCgCAxAiAI2aA4ZJgIIOLAkZGEIAhgkADIyAcQgMAOgAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
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