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CHEBI:41066 - 2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE

Default Structure
ChEBI IDCHEBI:41066
ChEBI Name2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE
Stars
Last Modified16 May 2008
DownloadsMolfile
FormulaC23H28N4O
Net Charge0
Average Mass376.504
Monoisotopic Mass376.22631
SMILES[H]/N=C(/c1c([H])c([H])c(C([H])([H])[C@@]2([H])C(=O)[C@]([H])(C([H])([H])c3c([H])c([H])c(/C(=N\[H])N([H])[H])c([H])c3[H])C([H])([H])C([H])([H])C([H])([H])C2([H])[H])c([H])c1[H])N([H])[H]
InChIInChI=1S/C23H28N4O/c24-22(25)17-9-5-15(6-10-17)13-19-3-1-2-4-20(21(19)28)14-16-7-11-18(12-8-16)23(26)27/h5-12,19-20H,1-4,13-14H2,(H3,24,25)(H3,26,27)/t19-,20-/m0/s1
InChIKeyBXYGSMRTHHSAHZ-PMACEKPBSA-N
ChEBI Ontology
Outgoing Relation(s)
2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONE (CHEBI:41066) is a unclassifieds (CHEBI:27189)
Synonyms  Source
2,7-BIS-(4-AMIDINOBENZYLIDENE)-CYCLOHEPTAN-1-ONEPDBeChem
4,4'-{[(1S,3S)-2-oxocycloheptane-1,3-diyl]dimethanediyl}dibenzenecarboximidamidePDBeChem
Manual XrefsDatabases
BBAPDBeChem