(4-fluorophenyl)-[(1R,5S)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]methanone (Q27215416)

BRD-K39529907-019-01-2 (English)

11 October 2016

chemical formula

C₂₃H₂₀FN₃O

1 reference

BRD-K39529907-019-01-2 (English)

11 October 2016

canonical SMILES

C1C2C(C(N2)CN1C(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)C5=CN=CC=C5

1 reference

BRD-K39529907-019-01-2 (English)

11 October 2016

isomeric SMILES

C1[C@@H]2C([C@@H](N2)CN1C(=O)C3=CC=C(C=C3)F)C4=CC=C(C=C4)C5=CN=CC=C5

1 reference

BRD-K39529907-019-01-2 (English)

InChI=1S/C23H20FN3O/c24-19-9-7-17(8-10-19)23(28)27-13-20-22(21(14-27)26-20)16-5-3-15(4-6-16)18-2-1-11-25-12-18/h1-12,20-22,26H,13-14H2/t20-,21+,22?

11 October 2016

Identifiers

InChI

1 reference

BRD-K39529907-019-01-2 (English)

NBIJEXVMYQNMKR-CBQGHPETSA-N

11 October 2016

InChIKey

2 references

BRD-K39529907-019-01-2 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K39529907-019-01-2 (English)

matched by identifier from

11 October 2016

InChIKey

NBIJEXVMYQNMKR-CBQGHPETSA-N

ChEBI ID

125078

mapping relation type

2 references

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