3-[4-[(1S,5R)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (Q27215452)

BRD-K61847735-019-01-7 (English)

11 October 2016

chemical formula

C₁₈H₁₇N₃

1 reference

BRD-K61847735-019-01-7 (English)

11 October 2016

canonical SMILES

C1C2C(C(N2)CN1)C3=CC=C(C=C3)C4=CC=CC(=C4)C#N

1 reference

BRD-K61847735-019-01-7 (English)

11 October 2016

isomeric SMILES

C1[C@@H]2C([C@@H](N2)CN1)C3=CC=C(C=C3)C4=CC=CC(=C4)C#N

1 reference

BRD-K61847735-019-01-7 (English)

InChI=1S/C18H17N3/c19-9-12-2-1-3-15(8-12)13-4-6-14(7-5-13)18-16-10-20-11-17(18)21-16/h1-8,16-18,20-21H,10-11H2/t16-,17+,18?

11 October 2016

Identifiers

InChI

1 reference

BRD-K61847735-019-01-7 (English)

XGQYEUDSRUYSTH-JWTNVVGKSA-N

11 October 2016

InChIKey

2 references

BRD-K61847735-019-01-7 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K61847735-019-01-7 (English)

matched by identifier from

11 October 2016

InChIKey

XGQYEUDSRUYSTH-JWTNVVGKSA-N

ChEBI ID

125110

mapping relation type

2 references

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