3-[4-[(1R,5S)-6-[(2-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (Q27216760)

BRD-K04562016-001-01-0 (English)

11 October 2016

chemical formula

C₂₆H₂₅N₃O

1 reference

BRD-K04562016-001-01-0 (English)

11 October 2016

canonical SMILES

COC1=CC=CC=C1CN2C3CNCC2C3C4=CC=C(C=C4)C5=CC=CC(=C5)C#N

1 reference

BRD-K04562016-001-01-0 (English)

11 October 2016

isomeric SMILES

COC1=CC=CC=C1CN2[C@@H]3CNC[C@H]2C3C4=CC=C(C=C4)C5=CC=CC(=C5)C#N

1 reference

BRD-K04562016-001-01-0 (English)

InChI=1S/C26H25N3O/c1-30-25-8-3-2-6-22(25)17-29-23-15-28-16-24(29)26(23)20-11-9-19(10-12-20)21-7-4-5-18(13-21)14-27/h2-13,23-24,26,28H,15-17H2,1H3/t23-,24+,26?

11 October 2016

Identifiers

InChI

1 reference

BRD-K04562016-001-01-0 (English)

DZFUMUWZXBFXFA-MAOIWGCQSA-N

11 October 2016

InChIKey

2 references

BRD-K04562016-001-01-0 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K04562016-001-01-0 (English)

matched by identifier from

11 October 2016

InChIKey

DZFUMUWZXBFXFA-MAOIWGCQSA-N

ChEBI ID

125956

mapping relation type

2 references

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