3-[4-[(1S,5R)-3-[(2-methoxyphenyl)methyl]-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (Q27215346)

BRD-K04803823-019-01-3 (English)

11 October 2016

chemical formula

C₂₆H₂₅N₃O

1 reference

BRD-K04803823-019-01-3 (English)

11 October 2016

canonical SMILES

COC1=CC=CC=C1CN2CC3C(C(C2)N3)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N

1 reference

BRD-K04803823-019-01-3 (English)

11 October 2016

isomeric SMILES

COC1=CC=CC=C1CN2C[C@@H]3C([C@H](C2)N3)C4=CC=C(C=C4)C5=CC=CC(=C5)C#N

1 reference

BRD-K04803823-019-01-3 (English)

InChI=1S/C26H25N3O/c1-30-25-8-3-2-6-22(25)15-29-16-23-26(24(17-29)28-23)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-K04803823-019-01-3 (English)

QOVFPCHJGWGUIZ-MAOIWGCQSA-N

11 October 2016

InChIKey

2 references

BRD-K04803823-019-01-3 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K04803823-019-01-3 (English)

matched by identifier from

11 October 2016

InChIKey

QOVFPCHJGWGUIZ-MAOIWGCQSA-N

ChEBI ID

125011

mapping relation type

2 references

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