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CHEBI:47686 - 3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE

Default Structure
ChEBI IDCHEBI:47686
ChEBI Name3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE
Stars
Last Modified17 October 2009
DownloadsMolfile
FormulaC22H21BrN4O
Net Charge0
Average Mass437.341
Monoisotopic Mass436.08987
SMILES[H]c1nc([H])c(-c2c([H])c([H])c3c(c(C([H])([H])[H])nn3[H])c2[H])c([H])c1OC([H])([H])[C@@]([H])(N([H])[H])C([H])([H])c1c([H])c([H])c(Br)c([H])c1[H]
InChIInChI=1S/C22H21BrN4O/c1-14-21-10-16(4-7-22(21)27-26-14)17-9-20(12-25-11-17)28-13-19(24)8-15-2-5-18(23)6-3-15/h2-7,9-12,19H,8,13,24H2,1H3,(H,26,27)/t19-/m0/s1
InChIKeyVLPMRZSKJUTRBQ-IBGZPJMESA-N
ChEBI Ontology
Outgoing Relation(s)
3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLE (CHEBI:47686) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-1-(4-bromophenyl)-3-{[5-(3-methyl-1H-indazol-5-yl)pyridin-3-yl]oxy}propan-2-aminePDBeChem
3-PYRIDIN-4-YL-2,4-DIHYDRO-INDENO[1,2-.C.] PYRAZOLEPDBeChem
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