4-[4-[(1S,5R)-3-[oxo(pyridin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (Q27215434)

BRD-K49849398-019-01-8 (English)

11 October 2016

chemical formula

C₂₄H₂₀N₄O

1 reference

BRD-K49849398-019-01-8 (English)

11 October 2016

canonical SMILES

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

1 reference

BRD-K49849398-019-01-8 (English)

11 October 2016

isomeric SMILES

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

1 reference

BRD-K49849398-019-01-8 (English)

InChI=1S/C24H20N4O/c25-13-16-1-3-17(4-2-16)18-5-7-19(8-6-18)23-21-14-28(15-22(23)27-21)24(29)20-9-11-26-12-10-20/h1-12,21-23,27H,14-15H2/t21-,22+,23?

11 October 2016

Identifiers

InChI

1 reference

BRD-K49849398-019-01-8 (English)

GBKBADZVBSALHV-AIZNXBIQSA-N

11 October 2016

InChIKey

2 references

BRD-K49849398-019-01-8 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K49849398-019-01-8 (English)

matched by identifier from

11 October 2016

InChIKey

GBKBADZVBSALHV-AIZNXBIQSA-N

ChEBI ID

125094

mapping relation type

2 references

4-[4-[(1S,5R)-3-[oxo(pyridin-4-yl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (English)