(1S,5R)-3-[(3-fluorophenyl)methyl]-7-[4-(2-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (Q27215428)

CHEMBL3184545 (English)

11 October 2016

chemical formula

C₂₅H₂₅FN₂O

1 reference

CHEMBL3184545 (English)

11 October 2016

canonical SMILES

COC1=CC=CC=C1C2=CC=C(C=C2)C3C4CN(CC3N4)CC5=CC(=CC=C5)F

1 reference

CHEMBL3184545 (English)

11 October 2016

isomeric SMILES

COC1=CC=CC=C1C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)CC5=CC(=CC=C5)F

1 reference

CHEMBL3184545 (English)

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

11 October 2016

Identifiers

InChI

1 reference

CHEMBL3184545 (English)

KQECXYVMHINSBB-HCGNOCCLSA-N

11 October 2016

InChIKey

2 references

CHEMBL3184545 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

CHEMBL3184545 (English)

matched by identifier from

11 October 2016

InChIKey

KQECXYVMHINSBB-HCGNOCCLSA-N

ChEBI ID

125089

mapping relation type

2 references

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