1-[(1S,5R)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-pyridin-4-ylethanone (Q27215470)

BRD-K80674743-019-01-2 (English)

11 October 2016

chemical formula

C₂₅H₂₅N₃O

1 reference

BRD-K80674743-019-01-2 (English)

11 October 2016

canonical SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C3C4CN(CC3N4)C(=O)CC5=CC=NC=C5

1 reference

BRD-K80674743-019-01-2 (English)

11 October 2016

isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)C(=O)CC5=CC=NC=C5

1 reference

BRD-K80674743-019-01-2 (English)

InChI=1S/C25H25N3O/c1-17-4-2-3-5-21(17)19-6-8-20(9-7-19)25-22-15-28(16-23(25)27-22)24(29)14-18-10-12-26-13-11-18/h2-13,22-23,25,27H,14-16H2,1H3/t22-,23+,25?

11 October 2016

Identifiers

InChI

1 reference

BRD-K80674743-019-01-2 (English)

UMSXZDJSAVZTBK-HCGNOCCLSA-N

11 October 2016

InChIKey

2 references

BRD-K80674743-019-01-2 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K80674743-019-01-2 (English)

matched by identifier from

11 October 2016

InChIKey

UMSXZDJSAVZTBK-HCGNOCCLSA-N

ChEBI ID

125128

mapping relation type

2 references

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