4-[4-[(1S,5R)-6-(cyclohexylmethyl)-3,6-diazabicyclo[3.1.1]heptan-7-yl]phenyl]-N,N-dimethylbenzamide (Q27221419)

BRD-K48528505-001-01-7 (English)

11 October 2016

chemical formula

C₂₇H₃₅N₃O

1 reference

BRD-K48528505-001-01-7 (English)

11 October 2016

canonical SMILES

CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3C4CNCC3N4CC5CCCCC5

1 reference

BRD-K48528505-001-01-7 (English)

11 October 2016

isomeric SMILES

CN(C)C(=O)C1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4CC5CCCCC5

1 reference

BRD-K48528505-001-01-7 (English)

InChI=1S/C27H35N3O/c1-29(2)27(31)23-14-10-21(11-15-23)20-8-12-22(13-9-20)26-24-16-28-17-25(26)30(24)18-19-6-4-3-5-7-19/h8-15,19,24-26,28H,3-7,16-18H2,1-2H3/t24-,25+,26?

11 October 2016

Identifiers

InChI

1 reference

BRD-K48528505-001-01-7 (English)

ATAYYBNOPZRKIP-IQCGEYIDSA-N

11 October 2016

InChIKey

2 references

BRD-K48528505-001-01-7 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K48528505-001-01-7 (English)

matched by identifier from

11 October 2016

InChIKey

ATAYYBNOPZRKIP-IQCGEYIDSA-N

ChEBI ID

128410

mapping relation type

2 references

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