4-oxanyl-[(1R,5S)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone (Q27215423)

BRD-K43528099-019-01-6 (English)

11 October 2016

chemical formula

C₂₂H₂₅N₃O₂

1 reference

BRD-K43528099-019-01-6 (English)

11 October 2016

canonical SMILES

C1COCCC1C(=O)N2CC3C(C(C2)N3)C4=CC=C(C=C4)C5=CC=NC=C5

1 reference

BRD-K43528099-019-01-6 (English)

11 October 2016

isomeric SMILES

C1COCCC1C(=O)N2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CC=NC=C5

1 reference

BRD-K43528099-019-01-6 (English)

InChI=1S/C22H25N3O2/c26-22(18-7-11-27-12-8-18)25-13-19-21(20(14-25)24-19)17-3-1-15(2-4-17)16-5-9-23-10-6-16/h1-6,9-10,18-21,24H,7-8,11-14H2/t19-,20+,21?

11 October 2016

Identifiers

InChI

1 reference

BRD-K43528099-019-01-6 (English)

ORYBWWOKLKXUFF-WCRBZPEASA-N

11 October 2016

InChIKey

2 references

BRD-K43528099-019-01-6 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K43528099-019-01-6 (English)

matched by identifier from

11 October 2016

InChIKey

ORYBWWOKLKXUFF-WCRBZPEASA-N

ChEBI ID

125084

mapping relation type

2 references

4-oxanyl-[(1R,5S)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone (English)