(1S,5R)-3-[(3,5-dimethoxyphenyl)methyl]-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane (Q27215337)

BRD-K01448700-019-01-8 (English)

11 October 2016

chemical formula

C₂₅H₂₇N₃O₂

1 reference

BRD-K01448700-019-01-8 (English)

11 October 2016

canonical SMILES

COC1=CC(=CC(=C1)CN2CC3C(C(C2)N3)C4=CC=C(C=C4)C5=CC=NC=C5)OC

1 reference

BRD-K01448700-019-01-8 (English)

11 October 2016

isomeric SMILES

COC1=CC(=CC(=C1)CN2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CC=NC=C5)OC

1 reference

BRD-K01448700-019-01-8 (English)

InChI=1S/C25H27N3O2/c1-29-21-11-17(12-22(13-21)30-2)14-28-15-23-25(24(16-28)27-23)20-5-3-18(4-6-20)19-7-9-26-10-8-19/h3-13,23-25,27H,14-16H2,1-2H3/t23-,24+,25?

11 October 2016

Identifiers

InChI

1 reference

BRD-K01448700-019-01-8 (English)

IBUGMZNJZNREHW-XMGLRAKGSA-N

11 October 2016

InChIKey

2 references

BRD-K01448700-019-01-8 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K01448700-019-01-8 (English)

matched by identifier from

11 October 2016

InChIKey

IBUGMZNJZNREHW-XMGLRAKGSA-N

ChEBI ID

125003

mapping relation type

2 references

(1S,5R)-3-[(3,5-dimethoxyphenyl)methyl]-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane (English)