(1R,5S)-7-[4-(3-methylphenyl)phenyl]-N-phenyl-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (Q27215358)

BRD-K11679888-019-01-0 (English)

11 October 2016

chemical formula

C₂₅H₂₅N₃O

1 reference

BRD-K11679888-019-01-0 (English)

11 October 2016

canonical SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)C3C4CN(CC3N4)C(=O)NC5=CC=CC=C5

1 reference

BRD-K11679888-019-01-0 (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)NC5=CC=CC=C5

1 reference

BRD-K11679888-019-01-0 (English)

InChI=1S/C25H25N3O/c1-17-6-5-7-20(14-17)18-10-12-19(13-11-18)24-22-15-28(16-23(24)27-22)25(29)26-21-8-3-2-4-9-21/h2-14,22-24,27H,15-16H2,1H3,(H,26,29)/t22-,23+,24?

11 October 2016

Identifiers

InChI

1 reference

BRD-K11679888-019-01-0 (English)

ILPXZHDHNVATBC-VSGJHWFKSA-N

11 October 2016

InChIKey

2 references

BRD-K11679888-019-01-0 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K11679888-019-01-0 (English)

matched by identifier from

11 October 2016

InChIKey

ILPXZHDHNVATBC-VSGJHWFKSA-N

ChEBI ID

125023

mapping relation type

2 references

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