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anastrozole

Go to external page http://purl.obolibrary.org/obo/CHEBI_2704

A 1,2,4-triazole compound having a 3,5-bis(2-cyano-2-propyl)benzyl group at the 1-position.

Term info

Label

anastrozole

Synonyms
  • 2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]bis(2-methylpropanenitrile)
database cross reference
Subsets

3_STAR

IUPAC NAME
2,2'-[5-(1H-1,2,4-triazol-1-ylmethyl)-1,3-phenylene]bis(2-methylpropanenitrile) [ IUPAC ]

INN
anastrozole [ KEGG_DRUG ]

charge

0

formula

C17H19N5

has obo namespace

chebi_ontology

has related synonym

alpha,alpha,alpha',alpha'-Tetramethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-m-benzenediacetonitrile, anastrozole, Anastrozol

id

CHEBI:2704

inchi

InChI=1S/C17H19N5/c1-16(2,9-18)14-5-13(8-22-12-20-11-21-22)6-15(7-14)17(3,4)10-19/h5-7,11-12H,8H2,1-4H3

inchikey

YBBLVLTVTVSKRW-UHFFFAOYSA-N

mass

293.36630

monoisotopicmass

293.16405

smiles

CC(C)(C#N)c1cc(Cn2cncn2)cc(c1)C(C)(C)C#N