(1R,5S)-6-[(4-fluorophenyl)methyl]-7-[4-(2-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (Q27223325)

BRD-K78132017-001-01-2 (English)

12 October 2016

chemical formula

C₂₅H₂₅FN₂O

1 reference

BRD-K78132017-001-01-2 (English)

12 October 2016

canonical SMILES

COC1=CC=CC=C1C2=CC=C(C=C2)C3C4CNCC3N4CC5=CC=C(C=C5)F

1 reference

BRD-K78132017-001-01-2 (English)

12 October 2016

isomeric SMILES

COC1=CC=CC=C1C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4CC5=CC=C(C=C5)F

1 reference

BRD-K78132017-001-01-2 (English)

InChI=1S/C25H25FN2O/c1-29-24-5-3-2-4-21(24)18-8-10-19(11-9-18)25-22-14-27-15-23(25)28(22)16-17-6-12-20(26)13-7-17/h2-13,22-23,25,27H,14-16H2,1H3/t22-,23+,25?

12 October 2016

Identifiers

InChI

1 reference

BRD-K78132017-001-01-2 (English)

HFQBYQMBUVKPKU-HCGNOCCLSA-N

12 October 2016

InChIKey

2 references

BRD-K78132017-001-01-2 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K78132017-001-01-2 (English)

matched by identifier from

12 October 2016

InChIKey

HFQBYQMBUVKPKU-HCGNOCCLSA-N

ChEBI ID

129985

mapping relation type

2 references

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