4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide (Q27166728)

376348-65-1, UK-427857, UK427857 (English)

9 October 2016

chemical formula

C₂₉H₄₁F₂N₅O

1 reference

376348-65-1, UK-427857, UK427857 (English)

9 October 2016

canonical SMILES

CC1=NN=C(N1C2CC3CCC(C2)N3CCC(C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C

1 reference

376348-65-1, UK-427857, UK427857 (English)

9 October 2016

isomeric SMILES

CC1=NN=C(N1C2CC3CCC(C2)N3CC[C@@H](C4=CC=CC=C4)NC(=O)C5CCC(CC5)(F)F)C(C)C

1 reference

376348-65-1, UK-427857, UK427857 (English)

InChI=1S/C29H41F2N5O/c1-19(2)27-34-33-20(3)36(27)25-17-23-9-10-24(18-25)35(23)16-13-26(21-7-5-4-6-8-21)32-28(37)22-11-14-29(30,31)15-12-22/h4-8,19,22-26H,9-18H2,1-3H3,(H,32,37)/t23?,24?,25?,26-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

376348-65-1, UK-427857, UK427857 (English)

GSNHKUDZZFZSJB-ILVMPNSOSA-N

9 October 2016

InChIKey

2 references

376348-65-1, UK-427857, UK427857 (English)

9 October 2016

stated in

ChEBI release 2020-09-01

1 reference

4,4-Difluoro-N-{(1S)-3-[3-(3-isopropyl-5-methyl-4H-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]oct-8-yl]-1-phenylpropyl}cyclohexanecarboxamide (English)

9 October 2016

1 reference

376348-65-1, UK-427857, UK427857 (English)

9 October 2016

ChEBI ID

94963

mapping relation type

1 reference

4,4-difluoro-N-[(1S)-3-[3-(3-methyl-5-propan-2-yl-1,2,4-triazol-4-yl)-8-azabicyclo[3.2.1]octan-8-yl]-1-phenylpropyl]-1-cyclohexanecarboxamide (English)

9 October 2016

1 reference