4-[4-[(1S,5R)-3-[cyclobutyl(oxo)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide (Q27215456)

BRD-K65402741-019-01-9 (English)

11 October 2016

chemical formula

C₂₅H₂₉N₃O₂

1 reference

BRD-K65402741-019-01-9 (English)

11 October 2016

canonical SMILES

CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3C4CN(CC3N4)C(=O)C5CCC5

1 reference

BRD-K65402741-019-01-9 (English)

11 October 2016

isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)C(=O)C5CCC5

1 reference

BRD-K65402741-019-01-9 (English)

InChI=1S/C25H29N3O2/c1-27(2)24(29)20-12-8-17(9-13-20)16-6-10-18(11-7-16)23-21-14-28(15-22(23)26-21)25(30)19-4-3-5-19/h6-13,19,21-23,26H,3-5,14-15H2,1-2H3/t21-,22+,23?

11 October 2016

Identifiers

InChI

1 reference

BRD-K65402741-019-01-9 (English)

CAIRMNGGSRXYSX-AIZNXBIQSA-N

11 October 2016

InChIKey

2 references

BRD-K65402741-019-01-9 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K65402741-019-01-9 (English)

matched by identifier from

11 October 2016

InChIKey

CAIRMNGGSRXYSX-AIZNXBIQSA-N

ChEBI ID

125114

mapping relation type

2 references

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