(Q27215444)

BRD-K54127914-019-01-6 (English)

11 October 2016

chemical formula

C₂₄H₂₅N₃O

1 reference

BRD-K54127914-019-01-6 (English)

11 October 2016

canonical SMILES

COC1=CC=CC=C1CN2CC3C(C(C2)N3)C4=CC=C(C=C4)C5=CC=NC=C5

1 reference

BRD-K54127914-019-01-6 (English)

11 October 2016

isomeric SMILES

COC1=CC=CC=C1CN2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CC=NC=C5

1 reference

BRD-K54127914-019-01-6 (English)

InChI=1S/C24H25N3O/c1-28-23-5-3-2-4-20(23)14-27-15-21-24(22(16-27)26-21)19-8-6-17(7-9-19)18-10-12-25-13-11-18/h2-13,21-22,24,26H,14-16H2,1H3/t21-,22+,24?

11 October 2016

Identifiers

InChI

1 reference

BRD-K54127914-019-01-6 (English)

NPSYZFOGEPYHIL-RIKCKFAHSA-N

11 October 2016

InChIKey

2 references

BRD-K54127914-019-01-6 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K54127914-019-01-6 (English)

11 October 2016

ChEBI ID

125103

mapping relation type

1 reference