4-[4-[(1S,5R)-3-(4-oxazolylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]benzonitrile (Q27215466)

BRD-K77790153-019-01-4 (English)

11 October 2016

chemical formula

C₂₂H₂₀N₄O

1 reference

BRD-K77790153-019-01-4 (English)

11 October 2016

canonical SMILES

C1C2C(C(N2)CN1CC3=COC=N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N

1 reference

BRD-K77790153-019-01-4 (English)

11 October 2016

isomeric SMILES

C1[C@@H]2C([C@@H](N2)CN1CC3=COC=N3)C4=CC=C(C=C4)C5=CC=C(C=C5)C#N

1 reference

BRD-K77790153-019-01-4 (English)

InChI=1S/C22H20N4O/c23-9-15-1-3-16(4-2-15)17-5-7-18(8-6-17)22-20-11-26(12-21(22)25-20)10-19-13-27-14-24-19/h1-8,13-14,20-22,25H,10-12H2/t20-,21+,22?

11 October 2016

Identifiers

InChI

1 reference

BRD-K77790153-019-01-4 (English)

ZIYBKRPCCDRZAD-CBQGHPETSA-N

11 October 2016

InChIKey

2 references

BRD-K77790153-019-01-4 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K77790153-019-01-4 (English)

matched by identifier from

11 October 2016

InChIKey

ZIYBKRPCCDRZAD-CBQGHPETSA-N

ChEBI ID

125124

mapping relation type

2 references

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