[(1R,5S)-7-[4-(2-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-(4-oxanyl)methanone (Q27215432)

BRD-K49047603-019-01-0 (English)

11 October 2016

chemical formula

C₂₃H₂₅FN₂O₂

1 reference

BRD-K49047603-019-01-0 (English)

11 October 2016

canonical SMILES

C1COCCC1C(=O)N2CC3C(C(C2)N3)C4=CC=C(C=C4)C5=CC=CC=C5F

1 reference

BRD-K49047603-019-01-0 (English)

11 October 2016

isomeric SMILES

C1COCCC1C(=O)N2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CC=CC=C5F

1 reference

BRD-K49047603-019-01-0 (English)

InChI=1S/C23H25FN2O2/c24-19-4-2-1-3-18(19)15-5-7-16(8-6-15)22-20-13-26(14-21(22)25-20)23(27)17-9-11-28-12-10-17/h1-8,17,20-22,25H,9-14H2/t20-,21+,22?

11 October 2016

Identifiers

InChI

1 reference

BRD-K49047603-019-01-0 (English)

FBDIOEJWUJRDGP-CBQGHPETSA-N

11 October 2016

InChIKey

2 references

BRD-K49047603-019-01-0 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K49047603-019-01-0 (English)

matched by identifier from

11 October 2016

InChIKey

FBDIOEJWUJRDGP-CBQGHPETSA-N

ChEBI ID

125092

mapping relation type

2 references

[(1R,5S)-7-[4-(2-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-(4-oxanyl)methanone (English)