2-(dimethylamino)-1-[(1S,5R)-7-[4-(2-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanone (Q27215385)

BRD-K24049756-019-01-0 (English)

11 October 2016

chemical formula

C₂₁H₂₄FN₃O

1 reference

BRD-K24049756-019-01-0 (English)

11 October 2016

canonical SMILES

CN(C)CC(=O)N1CC2C(C(C1)N2)C3=CC=C(C=C3)C4=CC=CC=C4F

1 reference

BRD-K24049756-019-01-0 (English)

11 October 2016

isomeric SMILES

CN(C)CC(=O)N1C[C@@H]2C([C@H](C1)N2)C3=CC=C(C=C3)C4=CC=CC=C4F

1 reference

BRD-K24049756-019-01-0 (English)

InChI=1S/C21H24FN3O/c1-24(2)13-20(26)25-11-18-21(19(12-25)23-18)15-9-7-14(8-10-15)16-5-3-4-6-17(16)22/h3-10,18-19,21,23H,11-13H2,1-2H3/t18-,19+,21?

11 October 2016

Identifiers

InChI

1 reference

BRD-K24049756-019-01-0 (English)

KPENTCGBNVYYDU-PMSBKCLSSA-N

11 October 2016

InChIKey

2 references

BRD-K24049756-019-01-0 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K24049756-019-01-0 (English)

matched by identifier from

11 October 2016

InChIKey

KPENTCGBNVYYDU-PMSBKCLSSA-N

ChEBI ID

125050

mapping relation type

2 references

2-(dimethylamino)-1-[(1S,5R)-7-[4-(2-fluorophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]ethanone (English)