(1S,5R)-N-(2-fluorophenyl)-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (Q27215458)

BRD-K67074672-019-01-7 (English)

11 October 2016

chemical formula

C₂₅H₂₄FN₃O₂

1 reference

BRD-K67074672-019-01-7 (English)

11 October 2016

canonical SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)C3C4CN(CC3N4)C(=O)NC5=CC=CC=C5F

1 reference

BRD-K67074672-019-01-7 (English)

11 October 2016

isomeric SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)C(=O)NC5=CC=CC=C5F

1 reference

BRD-K67074672-019-01-7 (English)

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

11 October 2016

Identifiers

InChI

1 reference

BRD-K67074672-019-01-7 (English)

PDIHLXLTWKYKAJ-VSGJHWFKSA-N

11 October 2016

InChIKey

2 references

BRD-K67074672-019-01-7 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K67074672-019-01-7 (English)

matched by identifier from

11 October 2016

InChIKey

PDIHLXLTWKYKAJ-VSGJHWFKSA-N

ChEBI ID

125116

mapping relation type

2 references

(1S,5R)-N-(2-fluorophenyl)-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (English)