1-[4-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propoxy]phenyl]-1-propanone (Q27185666)

MLS000051404 (English)

10 October 2016

chemical formula

C₂₃H₂₇F₃N₂O₃

1 reference

MLS000051404 (English)

10 October 2016

canonical SMILES

CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)O

1 reference

MLS000051404 (English)

InChI=1S/C23H27F3N2O3/c1-2-22(30)17-6-8-21(9-7-17)31-16-20(29)15-27-10-12-28(13-11-27)19-5-3-4-18(14-19)23(24,25)26/h3-9,14,20,29H,2,10-13,15-16H2,1H3

10 October 2016

Identifiers

InChI

1 reference

MLS000051404 (English)

RZBKZNYVDFDGCS-UHFFFAOYSA-N

10 October 2016

InChIKey

2 references

MLS000051404 (English)

10 October 2016

stated in

ChEBI release 2020-09-01

1 reference

1-[4-(2-Hydroxy-3-{4-[3-(trifluoromethyl)phenyl]-1-piperazinyl}propoxy)phenyl]-1-propanone (English)

10 October 2016

2 references

MLS000051404 (English)

matched by identifier from

10 October 2016

InChIKey

RZBKZNYVDFDGCS-UHFFFAOYSA-N

ChEBI ID

107363

mapping relation type

2 references

1-[4-[2-hydroxy-3-[4-[3-(trifluoromethyl)phenyl]-1-piperazinyl]propoxy]phenyl]-1-propanone (English)

matched by identifier from

10 October 2016

International Chemical Identifier

InChI

InChI=1S/C23H27F3N2O3/c1-2-22(30)17-6-8-21(9-7-17)31-16-20(29)15-27-10-12-28(13-11-27)19-5-3-4-18(14-19)23(24,25)26/h3-9,14,20,29H,2,10-13,15-16H2,1H3

1 reference