N,N-dimethyl-3-[4-[(1S,5R)-3-[oxo(2-pyrazinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide (Q27215393)

BRD-K27530838-019-01-8 (English)

11 October 2016

chemical formula

C₂₅H₂₅N₅O₂

1 reference

BRD-K27530838-019-01-8 (English)

11 October 2016

canonical SMILES

CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)C3C4CN(CC3N4)C(=O)C5=NC=CN=C5

1 reference

BRD-K27530838-019-01-8 (English)

11 October 2016

isomeric SMILES

CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)C(=O)C5=NC=CN=C5

1 reference

BRD-K27530838-019-01-8 (English)

InChI=1S/C25H25N5O2/c1-29(2)24(31)19-5-3-4-18(12-19)16-6-8-17(9-7-16)23-21-14-30(15-22(23)28-21)25(32)20-13-26-10-11-27-20/h3-13,21-23,28H,14-15H2,1-2H3/t21-,22+,23?

11 October 2016

Identifiers

InChI

1 reference

BRD-K27530838-019-01-8 (English)

IETFXVATRVQQOP-AIZNXBIQSA-N

11 October 2016

InChIKey

2 references

BRD-K27530838-019-01-8 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K27530838-019-01-8 (English)

matched by identifier from

11 October 2016

InChIKey

IETFXVATRVQQOP-AIZNXBIQSA-N

ChEBI ID

125056

mapping relation type

2 references

N,N-dimethyl-3-[4-[(1S,5R)-3-[oxo(2-pyrazinyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzamide (English)