[(1R,5S)-7-[4-(2-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-pyridin-4-ylmethanone (Q27215436)

BRD-K49881099-019-01-3 (English)

11 October 2016

chemical formula

C₂₄H₂₃N₃O₂

1 reference

BRD-K49881099-019-01-3 (English)

11 October 2016

canonical SMILES

COC1=CC=CC=C1C2=CC=C(C=C2)C3C4CN(CC3N4)C(=O)C5=CC=NC=C5

1 reference

BRD-K49881099-019-01-3 (English)

11 October 2016

isomeric SMILES

COC1=CC=CC=C1C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)C(=O)C5=CC=NC=C5

1 reference

BRD-K49881099-019-01-3 (English)

InChI=1S/C24H23N3O2/c1-29-22-5-3-2-4-19(22)16-6-8-17(9-7-16)23-20-14-27(15-21(23)26-20)24(28)18-10-12-25-13-11-18/h2-13,20-21,23,26H,14-15H2,1H3/t20-,21+,23?

11 October 2016

Identifiers

InChI

1 reference

BRD-K49881099-019-01-3 (English)

OOWJKJLSMCKXIE-TYABSZSSSA-N

11 October 2016

InChIKey

2 references

BRD-K49881099-019-01-3 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K49881099-019-01-3 (English)

11 October 2016

ChEBI ID

125096

mapping relation type

2 references

[(1R,5S)-7-[4-(2-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-pyridin-4-ylmethanone (English)