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Home> Hot Product Listed M   > Methanone, phenyl(4,5,6,7-tetrahydro-1H-indol-2-yl)-
900305-37-5 structure

Methanone, phenyl(4,5,6,7-tetrahydro-1H-indol-2-yl)-

Iupac Name:N-(1,3-dimethyl-2-oxo-6-pyrrolidin-1-ylbenzimidazol-5-yl)-2-methoxybenzamide
CAS No.:900305-37-5
Molecular Weight:380.448
Molecular Formula:C13H7CLFNO3 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C21H24N4O3/c1-23-17-12-15(22-20(26)14-8-4-5-9-19(14)28-3)16(25-10-6-7-11-25)13-18(17)24(2)21(23)27/h4-5,8-9,12-13H,6-7,10-11H2,1-3H3,(H,22,26)
InChkey
QCIJLRJBZDBVDB-UHFFFAOYSA-N
Canonical Smiles
CN1C2=CC(=C(C=C2N(C1=O)C)N3CCCC3)NC(=O)C4=CC=CC=C4OC
Computational chemical data
  • Molecular Weight:380.448g/mol
  • Molecular Formula:C13H7CLFNO3
  • Compound Is Canonicalized:True
  • Exact Mass:380.185
  • Monoisotopic Mass:380.185
  • Complexity:594
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:65.1A^2
  • Heavy Atom Count:28
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceB7sAAAAAAAAAAAAAAAAAAAAWLAAAAwYAAAAAAAAFgBQAAAHgAQAAAADAzBmAYzxoPABACI AiVSUACCCAAlIgAIiAEOfMiMZjbE9duUMWhu9hPI6aeYyCCOAACAAAQIACAAAQAACBAAQAAAAAAA AA==
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