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Reference substances

Reference substances

IUPAC name:
1-(butan-2-yl)-4-{4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl}-4,5-dihydro-1H-1,2,4-triazol-5-one

Inventory

EC number:
434-820-9
EC name:
-
CAS number:
-
Description:
T001330
CAS number:
106461-41-0
Synonyms
Names:
Identifier:
EC number
434-820-9
2,4-dihydro-4-(4-(4-(4-hydroxyphenyl)-1-piperazinyl)phenyl)-2-(1-methylpropyl)-3H-1,2,4-triazol-3-one

Molecular and structural information

Molecular formula:
C22H27N5O2
Molecular weight:
ca. 393.49
SMILES notation:
CCC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C4=CC=C(C=C4)O
InChl:
InChI=1S/C22H27N5O2/c1-3-17(2)27-22(29)26(16-23-27)20-6-4-18(5-7-20)24-12-14-25(15-13-24)19-8-10-21(28)11-9-19/h4-11,16-17,28H,3,12-15H2,1-2H3
Structural formula:
Chemical structure

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