(1S,5R)-7-[4-(3-methoxyphenyl)phenyl]-3-(2-pyridinylmethyl)-3,6-diazabicyclo[3.1.1]heptane (Q27215384)

CHEMBL3183038 (English)

11 October 2016

chemical formula

C₂₄H₂₅N₃O

1 reference

CHEMBL3183038 (English)

11 October 2016

canonical SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)C3C4CN(CC3N4)CC5=CC=CC=N5

1 reference

CHEMBL3183038 (English)

11 October 2016

isomeric SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)CC5=CC=CC=N5

1 reference

CHEMBL3183038 (English)

InChI=1S/C24H25N3O/c1-28-21-7-4-5-19(13-21)17-8-10-18(11-9-17)24-22-15-27(16-23(24)26-22)14-20-6-2-3-12-25-20/h2-13,22-24,26H,14-16H2,1H3/t22-,23+,24?

11 October 2016

Identifiers

InChI

1 reference

CHEMBL3183038 (English)

NGRUIDFBRMTHCY-VSGJHWFKSA-N

11 October 2016

InChIKey

2 references

CHEMBL3183038 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

CHEMBL3183038 (English)

matched by identifier from

11 October 2016

InChIKey

NGRUIDFBRMTHCY-VSGJHWFKSA-N

ChEBI ID

125049

mapping relation type

2 references

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