3-[4-[(1S,5R)-6-(1,3-benzodioxol-5-ylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide (Q27221460)

BRD-K48774739-001-01-5 (English)

11 October 2016

chemical formula

C₂₈H₂₉N₃O₃

1 reference

BRD-K48774739-001-01-5 (English)

11 October 2016

canonical SMILES

CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)C3C4CNCC3N4CC5=CC6=C(C=C5)OCO6

1 reference

BRD-K48774739-001-01-5 (English)

11 October 2016

isomeric SMILES

CN(C)C(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4CC5=CC6=C(C=C5)OCO6

1 reference

BRD-K48774739-001-01-5 (English)

InChI=1S/C28H29N3O3/c1-30(2)28(32)22-5-3-4-21(13-22)19-7-9-20(10-8-19)27-23-14-29-15-24(27)31(23)16-18-6-11-25-26(12-18)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-K48774739-001-01-5 (English)

ZNSZAARKAKQDDZ-VKSRLUHHSA-N

11 October 2016

InChIKey

2 references

BRD-K48774739-001-01-5 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K48774739-001-01-5 (English)

matched by identifier from

11 October 2016

InChIKey

ZNSZAARKAKQDDZ-VKSRLUHHSA-N

ChEBI ID

128429

mapping relation type

2 references

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