4-[4-[(1R,5S)-6-[(3-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (Q27224355)

BRD-K89793492-001-01-2 (English)

12 October 2016

chemical formula

C₂₆H₂₅N₃O

1 reference

BRD-K89793492-001-01-2 (English)

12 October 2016

canonical SMILES

COC1=CC=CC(=C1)CN2C3CNCC2C3C4=CC=C(C=C4)C5=CC=C(C=C5)C#N

1 reference

BRD-K89793492-001-01-2 (English)

12 October 2016

isomeric SMILES

COC1=CC=CC(=C1)CN2[C@@H]3CNC[C@H]2C3C4=CC=C(C=C4)C5=CC=C(C=C5)C#N

1 reference

BRD-K89793492-001-01-2 (English)

InChI=1S/C26H25N3O/c1-30-23-4-2-3-19(13-23)17-29-24-15-28-16-25(29)26(24)22-11-9-21(10-12-22)20-7-5-18(14-27)6-8-20/h2-13,24-26,28H,15-17H2,1H3/t24-,25+,26?

12 October 2016

Identifiers

InChI

1 reference

BRD-K89793492-001-01-2 (English)

BJLUEZLHFPNGIB-IQCGEYIDSA-N

12 October 2016

InChIKey

2 references

BRD-K89793492-001-01-2 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K89793492-001-01-2 (English)

matched by identifier from

12 October 2016

InChIKey

BJLUEZLHFPNGIB-IQCGEYIDSA-N

ChEBI ID

130615

mapping relation type

2 references

4-[4-[(1R,5S)-6-[(3-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (English)