(1S,5R)-3-[(2-fluorophenyl)methyl]-7-[4-(4-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (Q27215355)

CHEMBL3183012 (English)

11 October 2016

chemical formula

C₂₅H₂₅FN₂

1 reference

CHEMBL3183012 (English)

11 October 2016

canonical SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3C4CN(CC3N4)CC5=CC=CC=C5F

1 reference

CHEMBL3183012 (English)

11 October 2016

isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)CC5=CC=CC=C5F

1 reference

CHEMBL3183012 (English)

InChI=1S/C25H25FN2/c1-17-6-8-18(9-7-17)19-10-12-20(13-11-19)25-23-15-28(16-24(25)27-23)14-21-4-2-3-5-22(21)26/h2-13,23-25,27H,14-16H2,1H3/t23-,24+,25?

11 October 2016

Identifiers

InChI

1 reference

CHEMBL3183012 (English)

SQEFUJPOPMDWMY-XMGLRAKGSA-N

11 October 2016

InChIKey

2 references

CHEMBL3183012 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

CHEMBL3183012 (English)

matched by identifier from

11 October 2016

InChIKey

SQEFUJPOPMDWMY-XMGLRAKGSA-N

ChEBI ID

125020

mapping relation type

2 references

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