(1R,5S)-N-(4-methoxyphenyl)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (Q27215433)

BRD-K49066776-019-01-1 (English)

11 October 2016

chemical formula

C₂₄H₂₄N₄O₂

1 reference

BRD-K49066776-019-01-1 (English)

11 October 2016

canonical SMILES

COC1=CC=C(C=C1)NC(=O)N2CC3C(C(C2)N3)C4=CC=C(C=C4)C5=CC=NC=C5

1 reference

BRD-K49066776-019-01-1 (English)

11 October 2016

isomeric SMILES

COC1=CC=C(C=C1)NC(=O)N2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CC=NC=C5

1 reference

BRD-K49066776-019-01-1 (English)

InChI=1S/C24H24N4O2/c1-30-20-8-6-19(7-9-20)26-24(29)28-14-21-23(22(15-28)27-21)18-4-2-16(3-5-18)17-10-12-25-13-11-17/h2-13,21-23,27H,14-15H2,1H3,(H,26,29)/t21-,22+,23?

11 October 2016

Identifiers

InChI

1 reference

BRD-K49066776-019-01-1 (English)

COQDKCRLRIUNRV-AIZNXBIQSA-N

11 October 2016

InChIKey

2 references

BRD-K49066776-019-01-1 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K49066776-019-01-1 (English)

matched by identifier from

11 October 2016

InChIKey

COQDKCRLRIUNRV-AIZNXBIQSA-N

ChEBI ID

125093

mapping relation type

2 references

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