(Q27224875)

BRD-K99185973-001-01-7 (English)

12 October 2016

chemical formula

C₂₄H₂₅N₃O

1 reference

BRD-K99185973-001-01-7 (English)

12 October 2016

canonical SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)C3C4CNCC3N4CC5=CN=CC=C5

1 reference

BRD-K99185973-001-01-7 (English)

12 October 2016

isomeric SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4CC5=CN=CC=C5

1 reference

BRD-K99185973-001-01-7 (English)

InChI=1S/C24H25N3O/c1-28-21-6-2-5-20(12-21)18-7-9-19(10-8-18)24-22-14-26-15-23(24)27(22)16-17-4-3-11-25-13-17/h2-13,22-24,26H,14-16H2,1H3/t22-,23+,24?

12 October 2016

Identifiers

InChI

1 reference

BRD-K99185973-001-01-7 (English)

KMOOTCYORQCHDG-VSGJHWFKSA-N

12 October 2016

InChIKey

2 references

BRD-K99185973-001-01-7 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K99185973-001-01-7 (English)

12 October 2016

ChEBI ID

131089

mapping relation type

1 reference