(Q27222617)

BRD-K65416438-001-01-5 (English)

12 October 2016

chemical formula

C₂₆H₂₈N₄O

1 reference

BRD-K65416438-001-01-5 (English)

12 October 2016

canonical SMILES

CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3C4CNCC3N4CC5=CC=CC=N5

1 reference

BRD-K65416438-001-01-5 (English)

12 October 2016

isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4CC5=CC=CC=N5

1 reference

BRD-K65416438-001-01-5 (English)

InChI=1S/C26H28N4O/c1-29(2)26(31)21-12-8-19(9-13-21)18-6-10-20(11-7-18)25-23-15-27-16-24(25)30(23)17-22-5-3-4-14-28-22/h3-14,23-25,27H,15-17H2,1-2H3/t23-,24+,25?

12 October 2016

Identifiers

InChI

1 reference

BRD-K65416438-001-01-5 (English)

PMAQFXFJPMEQHW-XMGLRAKGSA-N

12 October 2016

InChIKey

2 references

BRD-K65416438-001-01-5 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K65416438-001-01-5 (English)

12 October 2016

ChEBI ID

129293

mapping relation type

1 reference