(1S,5R)-7-[4-(4-methoxyphenyl)phenyl]-N-propyl-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (Q27215440)

BRD-K52468146-019-01-6 (English)

11 October 2016

chemical formula

C₂₂H₂₇N₃O₂

1 reference

BRD-K52468146-019-01-6 (English)

11 October 2016

canonical SMILES

CCCNC(=O)N1CC2C(C(C1)N2)C3=CC=C(C=C3)C4=CC=C(C=C4)OC

1 reference

BRD-K52468146-019-01-6 (English)

11 October 2016

isomeric SMILES

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

1 reference

BRD-K52468146-019-01-6 (English)

InChI=1S/C22H27N3O2/c1-3-12-23-22(26)25-13-19-21(20(14-25)24-19)17-6-4-15(5-7-17)16-8-10-18(27-2)11-9-16/h4-11,19-21,24H,3,12-14H2,1-2H3,(H,23,26)/t19-,20+,21?

11 October 2016

Identifiers

InChI

1 reference

BRD-K52468146-019-01-6 (English)

MHHJYUYHFZQAMB-WCRBZPEASA-N

11 October 2016

InChIKey

2 references

BRD-K52468146-019-01-6 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K52468146-019-01-6 (English)

matched by identifier from

11 October 2016

InChIKey

MHHJYUYHFZQAMB-WCRBZPEASA-N

ChEBI ID

125099

mapping relation type

2 references

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