(Q27223198)

BRD-K40413084-001-01-9 (English)

12 October 2016

chemical formula

C₂₃H₂₉N₃

1 reference

BRD-K40413084-001-01-9 (English)

12 October 2016

canonical SMILES

C1CCC(CC1)CN2C3CNCC2C3C4=CC=C(C=C4)C5=CC=NC=C5

1 reference

BRD-K40413084-001-01-9 (English)

12 October 2016

isomeric SMILES

C1CCC(CC1)CN2[C@@H]3CNC[C@H]2C3C4=CC=C(C=C4)C5=CC=NC=C5

1 reference

BRD-K40413084-001-01-9 (English)

InChI=1S/C23H29N3/c1-2-4-17(5-3-1)16-26-21-14-25-15-22(26)23(21)20-8-6-18(7-9-20)19-10-12-24-13-11-19/h6-13,17,21-23,25H,1-5,14-16H2/t21-,22+,23?

12 October 2016

Identifiers

InChI

1 reference

BRD-K40413084-001-01-9 (English)

JAONVPPHLACSCW-AIZNXBIQSA-N

12 October 2016

InChIKey

2 references

BRD-K40413084-001-01-9 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K40413084-001-01-9 (English)

12 October 2016

ChEBI ID

129859

mapping relation type

1 reference