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CHEBI:83130 - anti-(1R,4S,9S)-isopyrazam

ChEBI IDCHEBI:83130
ChEBI Nameanti-(1R,4S,9S)-isopyrazam
Stars
ASCII Nameanti-(1R,4S,9S)-isopyrazam
DefinitionA 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide that is the anti-(1R,4S,9S)-diastereomer of isopyrazam.
Last Modified24 September 2014
SubmitterSteve
DownloadsMolfile
FormulaC20H23F2N3O
Net Charge0
Average Mass359.420
Monoisotopic Mass359.18092
SMILES[H][C@]1(C(C)C)[C@@]2([H])CC[C@]1([H])c1c(NC(=O)c3cn(C)nc3C(F)F)cccc12
InChIInChI=1S/C20H23F2N3O/c1-10(2)16-12-7-8-13(16)17-11(12)5-4-6-15(17)23-20(26)14-9-25(3)24-18(14)19(21)22/h4-6,9-10,12-13,16,19H,7-8H2,1-3H3,(H,23,26)/t12-,13-,16-/m0/s1
InChIKeyXTDZGXBTXBEZDN-XEZPLFJOSA-N
ChEBI Ontology
Outgoing Relation(s)
anti-(1R,4S,9S)-isopyrazam (CHEBI:83130) is a 3-(difluoromethyl)-N-(9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl)-1-methylpyrazole-4-carboxamide (CHEBI:83128)
anti-(1R,4S,9S)-isopyrazam (CHEBI:83130) is enantiomer of anti-(1S,4R,9R)-isopyrazam (CHEBI:83132)
Incoming Relation(s)
isopyrazam (CHEBI:83126) has part anti-(1R,4S,9S)-isopyrazam (CHEBI:83130)
anti-(1S,4R,9R)-isopyrazam (CHEBI:83132) is enantiomer of anti-(1R,4S,9S)-isopyrazam (CHEBI:83130)
IUPAC Name 
3-(difluoromethyl)-N-[(1R,4S,9S)-9-isopropyl-1,2,3,4-tetrahydro-1,4-methanonaphthalen-5-yl]-1-methyl-1H-pyrazole-4-carboxamide