4-[4-[(1S,5R)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide (Q27215419)

BRD-K40258090-019-01-2 (English)

11 October 2016

chemical formula

C₂₀H₂₃N₃O

1 reference

BRD-K40258090-019-01-2 (English)

11 October 2016

canonical SMILES

CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3C4CNCC3N4

1 reference

BRD-K40258090-019-01-2 (English)

11 October 2016

isomeric SMILES

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

1 reference

BRD-K40258090-019-01-2 (English)

InChI=1S/C20H23N3O/c1-23(2)20(24)16-9-5-14(6-10-16)13-3-7-15(8-4-13)19-17-11-21-12-18(19)22-17/h3-10,17-19,21-22H,11-12H2,1-2H3/t17-,18+,19?

11 October 2016

Identifiers

InChI

1 reference

BRD-K40258090-019-01-2 (English)

JMXXLVJTBCYGCG-DFNIBXOVSA-N

11 October 2016

InChIKey

2 references

BRD-K40258090-019-01-2 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K40258090-019-01-2 (English)

matched by identifier from

11 October 2016

InChIKey

JMXXLVJTBCYGCG-DFNIBXOVSA-N

ChEBI ID

125080

mapping relation type

2 references

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