1-[(1S,5R)-7-[4-(1-cyclohexenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-(dimethylamino)ethanone (Q27215472)

BRD-K81311598-019-01-6 (English)

11 October 2016

chemical formula

C₂₁H₂₉N₃O

1 reference

BRD-K81311598-019-01-6 (English)

11 October 2016

canonical SMILES

CN(C)CC(=O)N1CC2C(C(C1)N2)C3=CC=C(C=C3)C4=CCCCC4

1 reference

BRD-K81311598-019-01-6 (English)

11 October 2016

isomeric SMILES

CN(C)CC(=O)N1C[C@@H]2C([C@H](C1)N2)C3=CC=C(C=C3)C4=CCCCC4

1 reference

BRD-K81311598-019-01-6 (English)

InChI=1S/C21H29N3O/c1-23(2)14-20(25)24-12-18-21(19(13-24)22-18)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h6,8-11,18-19,21-22H,3-5,7,12-14H2,1-2H3/t18-,19+,21?

11 October 2016

Identifiers

InChI

1 reference

BRD-K81311598-019-01-6 (English)

ZYIFQCDKNKHSCQ-PMSBKCLSSA-N

11 October 2016

InChIKey

2 references

BRD-K81311598-019-01-6 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K81311598-019-01-6 (English)

matched by identifier from

11 October 2016

InChIKey

ZYIFQCDKNKHSCQ-PMSBKCLSSA-N

ChEBI ID

125129

mapping relation type

2 references

1-[(1S,5R)-7-[4-(1-cyclohexenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptan-3-yl]-2-(dimethylamino)ethanone (English)