(1R,5S)-N-(4-fluorophenyl)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (Q27215363)

BRD-K14074563-019-01-3 (English)

11 October 2016

chemical formula

C₂₅H₂₄FN₃O

1 reference

BRD-K14074563-019-01-3 (English)

11 October 2016

canonical SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C3C4CN(CC3N4)C(=O)NC5=CC=C(C=C5)F

1 reference

BRD-K14074563-019-01-3 (English)

11 October 2016

isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)C(=O)NC5=CC=C(C=C5)F

1 reference

BRD-K14074563-019-01-3 (English)

InChI=1S/C25H24FN3O/c1-16-4-2-3-5-21(16)17-6-8-18(9-7-17)24-22-14-29(15-23(24)28-22)25(30)27-20-12-10-19(26)11-13-20/h2-13,22-24,28H,14-15H2,1H3,(H,27,30)/t22-,23+,24?

11 October 2016

Identifiers

InChI

1 reference

BRD-K14074563-019-01-3 (English)

WRRMNAWHQFUFNU-VSGJHWFKSA-N

11 October 2016

InChIKey

2 references

BRD-K14074563-019-01-3 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K14074563-019-01-3 (English)

matched by identifier from

11 October 2016

InChIKey

WRRMNAWHQFUFNU-VSGJHWFKSA-N

ChEBI ID

125028

mapping relation type

2 references

(1R,5S)-N-(4-fluorophenyl)-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (English)