EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:228238 - chloroinconazide

ChEBI IDCHEBI:228238
ChEBI Namechloroinconazide
Stars
Last Modified20 November 2023
SubmitterAdnan
DownloadsMolfile
FormulaC20H19ClN4O
Net Charge0
Average Mass366.852
Monoisotopic Mass366.12474
SMILESCC1N[C@H](C(=O)N/N=C/c2ccc(Cl)cc2)Cc2c1nc1ccccc21
InChIInChI=1S/C20H19ClN4O/c1-12-19-16(15-4-2-3-5-17(15)24-19)10-18(23-12)20(26)25-22-11-13-6-8-14(21)9-7-13/h2-9,11-12,18,23-24H,10H2,1H3,(H,25,26)/b22-11+/t12?,18-/m0/s1
InChIKeyKMNVHTXBKWKMBA-KMRULJOSSA-N
Roles Classification
Biological Roles:
antiviral agent  A substance that destroys or inhibits replication of viruses.
fungicide  A substance used to destroy fungal pests.
Application:
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
chloroinconazide (CHEBI:228238) has role antiviral agent (CHEBI:22587)
chloroinconazide (CHEBI:228238) has role fungicide (CHEBI:24127)
chloroinconazide (CHEBI:228238) is a carbohydrazide (CHEBI:35363)
chloroinconazide (CHEBI:228238) is a monochlorobenzenes (CHEBI:83403)
chloroinconazide (CHEBI:228238) is a β-carbolines (CHEBI:60834)
IUPAC Name 
(1RS,3S)-N'-[(E)-(4-chlorobenzylidene)]-2,3,4,9-tetrahydro-1-methyl-1H-pyrido[3,4-b]indole-3-carbohydrazide
Synonyms  Source
(3S)-N'-[(E)-(4-chlorophenyl)methylidene]-1-methyl-2,3,4,9-tetrahydro-1H-β-carboline-3-carbohydrazideIUPAC
(3S)-2,3,4,9-tetrahydro-1-methyl-1H-pyrido[3,4-b]indole-3-carboxylic acid (2E)-2-[(4-chlorophenyl)methylene]hydrazideAlan Wood's Pesticides
(1Ξ,3S)-N'-[(E)-(4-chlorophenyl)methylidene]-1-methyl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carbohydrazideAlan Wood's Pesticides
Manual XrefsDatabases
3464PPDB
chloroinconazideAlan Wood's Pesticides
Registry NumbersSources
Reaxys:55193976Reaxys
CAS:2442449-10-5Alan Wood's Pesticides
Citations