(Q27215409)

BRD-K35862891-019-01-9 (English)

11 October 2016

chemical formula

C₂₅H₂₅N₃O₂

1 reference

BRD-K35862891-019-01-9 (English)

11 October 2016

canonical SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)C3C4CN(CC3N4)C(=O)CC5=CC=NC=C5

1 reference

BRD-K35862891-019-01-9 (English)

11 October 2016

isomeric SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)C(=O)CC5=CC=NC=C5

1 reference

BRD-K35862891-019-01-9 (English)

InChI=1S/C25H25N3O2/c1-30-21-4-2-3-20(14-21)18-5-7-19(8-6-18)25-22-15-28(16-23(25)27-22)24(29)13-17-9-11-26-12-10-17/h2-12,14,22-23,25,27H,13,15-16H2,1H3/t22-,23+,25?

11 October 2016

Identifiers

InChI

1 reference

BRD-K35862891-019-01-9 (English)

HNVPMDBINPMNDO-HCGNOCCLSA-N

11 October 2016

InChIKey

2 references

BRD-K35862891-019-01-9 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K35862891-019-01-9 (English)

11 October 2016

ChEBI ID

125071

mapping relation type

1 reference