(4-fluorophenyl)-[(1S,5R)-7-[4-(4-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone (Q27215426)

BRD-K45347683-019-01-1 (English)

11 October 2016

chemical formula

C₂₅H₂₃FN₂O₂

1 reference

BRD-K45347683-019-01-1 (English)

11 October 2016

canonical SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3C4CN(CC3N4)C(=O)C5=CC=C(C=C5)F

1 reference

BRD-K45347683-019-01-1 (English)

11 October 2016

isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)C(=O)C5=CC=C(C=C5)F

1 reference

BRD-K45347683-019-01-1 (English)

InChI=1S/C25H23FN2O2/c1-30-21-12-8-17(9-13-21)16-2-4-18(5-3-16)24-22-14-28(15-23(24)27-22)25(29)19-6-10-20(26)11-7-19/h2-13,22-24,27H,14-15H2,1H3/t22-,23+,24?

11 October 2016

Identifiers

InChI

1 reference

BRD-K45347683-019-01-1 (English)

HTJGGCMAZSVROT-VSGJHWFKSA-N

11 October 2016

InChIKey

2 references

BRD-K45347683-019-01-1 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K45347683-019-01-1 (English)

matched by identifier from

11 October 2016

InChIKey

HTJGGCMAZSVROT-VSGJHWFKSA-N

ChEBI ID

125087

mapping relation type

2 references

(4-fluorophenyl)-[(1S,5R)-7-[4-(4-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone (English)