(Q4835624)

SCHEMBL578714 (English)

19 October 2016

chemical formula

C₂₈H₃₈F₃N₇O₂

1 reference

SCHEMBL578714 (English)

19 October 2016

canonical SMILES

CC(C)NC(=O)C1CCCC1NC2=NC(=NC=C2C(F)(F)F)NC3=CC=C(C=C3)C(=O)N(C)C4CCN(CC4)C

1 reference

SCHEMBL578714 (English)

19 October 2016

isomeric SMILES

FC(F)(F)C(C=N1)=C(N[C@@]2(CCC[C@@]2(C(NC(C)C)=O)[H])[H])N=C1NC3=CC=C(C(N(C)C4CCN(C)CC4)=O)C=C3

0 references

CC(C)NC(=O)[C@H]1CCC[C@H]1NC2=NC(=NC=C2C(F)(F)F)NC3=CC=C(C=C3)C(=O)N(C)C4CCN(CC4)C

1 reference

SCHEMBL578714 (English)

InChI=1S/C28H38F3N7O2/c1-17(2)33-25(39)21-6-5-7-23(21)35-24-22(28(29,30)31)16-32-27(36-24)34-19-10-8-18(9-11-19)26(40)38(4)20-12-14-37(3)15-13-20/h8-11,16-17,20-21,23H,5-7,12-15H2,1-4H3,(H,33,39)(H2,32,34,35,36)/t21-,23+/m0/s1

19 October 2016

Identifiers

InChI

1 reference

SCHEMBL578714 (English)

JYFHHSWWLYUOIG-JTHBVZDNSA-N

19 October 2016

InChIKey

2 references

23 February 2021

SCHEMBL578714 (English)

19 October 2016

0 references

2 references

SCHEMBL578714 (English)

matched by identifier from

19 October 2016

InChIKey

JYFHHSWWLYUOIG-JTHBVZDNSA-N

1 reference

0 references

0 references

Microsoft Academic ID

0 references

1 reference

5K3Y (English)