triazoledione (Q27256399)

Triazoledione (English)

14 October 2016

chemical formula

C₂₃H₂₈ClN₅O₃

1 reference

Triazoledione (English)

14 October 2016

canonical SMILES

C1CN(CCN1CCCN2C(=O)N(C(=O)N2)CCOC3=CC=CC=C3)C4=CC(=CC=C4)Cl

1 reference

Triazoledione (English)

InChI=1S/C23H28ClN5O3/c24-19-6-4-7-20(18-19)27-14-12-26(13-15-27)10-5-11-29-23(31)28(22(30)25-29)16-17-32-21-8-2-1-3-9-21/h1-4,6-9,18H,5,10-17H2,(H,25,30)

14 October 2016

Identifiers

InChI

1 reference

Triazoledione (English)

BTNXVMLCKOPOEP-UHFFFAOYSA-N

14 October 2016

InChIKey

1 reference

Global Substance Registration System

Triazoledione (English)

14 October 2016

2 references

UNII

3508097W2U

https://commonchemistry.cas.org/detail?cas_rn=153707-88-1

bms-180492 (English)

14 October 2016

7 April 2021

InChIKey

BTNXVMLCKOPOEP-UHFFFAOYSA-N

1 reference

1-{3-[4-(3-Chlorophenyl)-1-piperazinyl]propyl}-4-(2-phenoxyethyl)-1,2,4-triazolidine-3,5-dione (English)

14 October 2016

1 reference

Human Metabolome Database ID

Triazoledione (English)

14 October 2016

1 reference

HMDB0259154

1 reference

based on heuristic

inferred from InChIKey

UNII

3508097W2U

1 reference

stated in

Global Substance Registration System

UNII

3508097W2U

bms-180492 (English)