[(1R,5S)-7-[4-(3-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-pyridin-4-ylmethanone (Q27215395)

BRD-K28162668-019-01-4 (English)

11 October 2016

chemical formula

C₂₄H₂₃N₃O

1 reference

BRD-K28162668-019-01-4 (English)

11 October 2016

canonical SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)C3C4CN(CC3N4)C(=O)C5=CC=NC=C5

1 reference

BRD-K28162668-019-01-4 (English)

11 October 2016

isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)C(=O)C5=CC=NC=C5

1 reference

BRD-K28162668-019-01-4 (English)

InChI=1S/C24H23N3O/c1-16-3-2-4-20(13-16)17-5-7-18(8-6-17)23-21-14-27(15-22(23)26-21)24(28)19-9-11-25-12-10-19/h2-13,21-23,26H,14-15H2,1H3/t21-,22+,23?

11 October 2016

Identifiers

InChI

1 reference

BRD-K28162668-019-01-4 (English)

FMKRRVQASUFWME-AIZNXBIQSA-N

11 October 2016

InChIKey

2 references

BRD-K28162668-019-01-4 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K28162668-019-01-4 (English)

matched by identifier from

11 October 2016

InChIKey

FMKRRVQASUFWME-AIZNXBIQSA-N

ChEBI ID

125058

mapping relation type

2 references

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