(1S,5R)-7-[4-(3-cyanophenyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (Q27215360)

CHEMBL3182483 (English)

11 October 2016

chemical formula

C₂₆H₂₁F₃N₄O

1 reference

CHEMBL3182483 (English)

11 October 2016

canonical SMILES

C1C2C(C(N2)CN1C(=O)NC3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N

1 reference

CHEMBL3182483 (English)

11 October 2016

isomeric SMILES

C1[C@@H]2C([C@@H](N2)CN1C(=O)NC3=CC=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N

1 reference

CHEMBL3182483 (English)

InChI=1S/C26H21F3N4O/c27-26(28,29)20-8-10-21(11-9-20)31-25(34)33-14-22-24(23(15-33)32-22)18-6-4-17(5-7-18)19-3-1-2-16(12-19)13-30/h1-12,22-24,32H,14-15H2,(H,31,34)/t22-,23+,24?

11 October 2016

Identifiers

InChI

1 reference

CHEMBL3182483 (English)

ZTPNIZXKMRRHNE-VSGJHWFKSA-N

11 October 2016

InChIKey

2 references

CHEMBL3182483 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

CHEMBL3182483 (English)

matched by identifier from

11 October 2016

InChIKey

ZTPNIZXKMRRHNE-VSGJHWFKSA-N

ChEBI ID

125025

mapping relation type

2 references

(1S,5R)-7-[4-(3-cyanophenyl)phenyl]-N-[4-(trifluoromethyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (English)