(Q27218904)

BRD-K15003581-001-01-7 (English)

11 October 2016

chemical formula

C₂₅H₂₄FN₃O₂

1 reference

BRD-K15003581-001-01-7 (English)

11 October 2016

canonical SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3C4CNCC3N4C(=O)NC5=CC=C(C=C5)F

1 reference

BRD-K15003581-001-01-7 (English)

11 October 2016

isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4C(=O)NC5=CC=C(C=C5)F

1 reference

BRD-K15003581-001-01-7 (English)

InChI=1S/C25H24FN3O2/c1-31-21-12-6-17(7-13-21)16-2-4-18(5-3-16)24-22-14-27-15-23(24)29(22)25(30)28-20-10-8-19(26)9-11-20/h2-13,22-24,27H,14-15H2,1H3,(H,28,30)/t22-,23+,24?

11 October 2016

Identifiers

InChI

1 reference

BRD-K15003581-001-01-7 (English)

ARSUAUPWLYNDSQ-VSGJHWFKSA-N

11 October 2016

InChIKey

2 references

BRD-K15003581-001-01-7 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K15003581-001-01-7 (English)

11 October 2016

ChEBI ID

126817

mapping relation type

1 reference