(Q27215345)

BRD-K04561891-019-01-4 (English)

11 October 2016

chemical formula

C₂₂H₂₆N₄O₂

1 reference

BRD-K04561891-019-01-4 (English)

11 October 2016

canonical SMILES

C1COCCN1CC(=O)N2CC3C(C(C2)N3)C4=CC=C(C=C4)C5=CC=NC=C5

1 reference

BRD-K04561891-019-01-4 (English)

11 October 2016

isomeric SMILES

C1COCCN1CC(=O)N2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CC=NC=C5

1 reference

BRD-K04561891-019-01-4 (English)

InChI=1S/C22H26N4O2/c27-21(15-25-9-11-28-12-10-25)26-13-19-22(20(14-26)24-19)18-3-1-16(2-4-18)17-5-7-23-8-6-17/h1-8,19-20,22,24H,9-15H2/t19-,20+,22?

11 October 2016

Identifiers

InChI

1 reference

BRD-K04561891-019-01-4 (English)

UULWUHWBVDYESO-RLAPIPATSA-N

11 October 2016

InChIKey

2 references

BRD-K04561891-019-01-4 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K04561891-019-01-4 (English)

11 October 2016

ChEBI ID

125010

mapping relation type

1 reference