{4-[2-(2-hydroxyethoxy)phenyl]piperazin-1-yl}[(2R,3S)-2-propyl-3-[4-(trifluoromethyl)phenoxy]-1-{[4-(trifluoromethyl)pyridin-3-yl]carbonyl}piperidin-3-yl]methanone (Q27456182)

SCHEMBL8134826 (English)

19 October 2016

chemical formula

C₃₅H₃₈F₆N₄O₅

1 reference

SCHEMBL8134826 (English)

19 October 2016

canonical SMILES

CCCC1C(CCCN1C(=O)C2=C(C=CN=C2)C(F)(F)F)(C(=O)N3CCN(CC3)C4=CC=CC=C4OCCO)OC5=CC=C(C=C5)C(F)(F)F

1 reference

SCHEMBL8134826 (English)

19 October 2016

isomeric SMILES

CCC[C@@H]1[C@@](CCCN1C(=O)C2=C(C=CN=C2)C(F)(F)F)(C(=O)N3CCN(CC3)C4=CC=CC=C4OCCO)OC5=CC=C(C=C5)C(F)(F)F

1 reference

SCHEMBL8134826 (English)

InChI=1S/C35H38F6N4O5/c1-2-6-30-33(50-25-11-9-24(10-12-25)34(36,37)38,14-5-16-45(30)31(47)26-23-42-15-13-27(26)35(39,40)41)32(48)44-19-17-43(18-20-44)28-7-3-4-8-29(28)49-22-21-46/h3-4,7-13,15,23,30,46H,2,5-6,14,16-22H2,1H3/t30-,33+/m1/s1

19 October 2016

Identifiers

InChI

1 reference

SCHEMBL8134826 (English)

YHNPRKVZFODOHZ-NDKRRWIDSA-N

19 October 2016

InChIKey

1 reference

SCHEMBL8134826 (English)

19 October 2016

2 references

SCHEMBL8134826 (English)

matched by identifier from

19 October 2016

InChIKey

YHNPRKVZFODOHZ-NDKRRWIDSA-N

1 reference

0 references

1 reference

5HMK (English)