4-[4-[(1R,5S)-3-(1,3-benzodioxol-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide (Q27215474)

BRD-K83860226-019-01-0 (English)

11 October 2016

chemical formula

C₂₈H₂₉N₃O₃

1 reference

BRD-K83860226-019-01-0 (English)

11 October 2016

canonical SMILES

CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3C4CN(CC3N4)CC5=CC6=C(C=C5)OCO6

1 reference

BRD-K83860226-019-01-0 (English)

11 October 2016

isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CN(C[C@@H]3N4)CC5=CC6=C(C=C5)OCO6

1 reference

BRD-K83860226-019-01-0 (English)

InChI=1S/C28H29N3O3/c1-30(2)28(32)22-10-6-20(7-11-22)19-4-8-21(9-5-19)27-23-15-31(16-24(27)29-23)14-18-3-12-25-26(13-18)34-17-33-25/h3-13,23-24,27,29H,14-17H2,1-2H3/t23-,24+,27?

11 October 2016

Identifiers

InChI

1 reference

BRD-K83860226-019-01-0 (English)

BVKXLWVLEYIMKG-VKSRLUHHSA-N

11 October 2016

InChIKey

2 references

BRD-K83860226-019-01-0 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K83860226-019-01-0 (English)

matched by identifier from

11 October 2016

InChIKey

BVKXLWVLEYIMKG-VKSRLUHHSA-N

ChEBI ID

125131

mapping relation type

2 references

4-[4-[(1R,5S)-3-(1,3-benzodioxol-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide (English)