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CHEBI:107199 - 6-amino-4-(3-chlorophenyl)-3-methyl-1-(phenylmethyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile

Default Structure
ChEBI IDCHEBI:107199
ChEBI Name6-amino-4-(3-chlorophenyl)-3-methyl-1-(phenylmethyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile
Stars
Last Modified11 May 2016
DownloadsMolfile
FormulaC21H17ClN4O
Net Charge0
Average Mass376.847
Monoisotopic Mass376.10909
SMILESCc1nn(Cc2ccccc2)c2c1C(c1cccc(Cl)c1)C(C#N)=C(N)O2
InChIInChI=1S/C21H17ClN4O/c1-13-18-19(15-8-5-9-16(22)10-15)17(11-23)20(24)27-21(18)26(25-13)12-14-6-3-2-4-7-14/h2-10,19H,12,24H2,1H3
InChIKeyRQDMRECGWKSRHK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
6-amino-4-(3-chlorophenyl)-3-methyl-1-(phenylmethyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile (CHEBI:107199) is a organochlorine compound (CHEBI:36683)
6-amino-4-(3-chlorophenyl)-3-methyl-1-(phenylmethyl)-4H-pyrano[2,3-c]pyrazole-5-carbonitrile (CHEBI:107199) is a pyranopyrazole (CHEBI:131903)
Manual XrefsDatabases
LSM-18553LINCS