(1S,5R)-7-[4-(2-methylphenyl)phenyl]-N-propyl-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (Q27215335)

BRD-K01214267-019-01-9 (English)

11 October 2016

chemical formula

C₂₂H₂₇N₃O

1 reference

BRD-K01214267-019-01-9 (English)

11 October 2016

canonical SMILES

CCCNC(=O)N1CC2C(C(C1)N2)C3=CC=C(C=C3)C4=CC=CC=C4C

1 reference

BRD-K01214267-019-01-9 (English)

11 October 2016

isomeric SMILES

CCCNC(=O)N1C[C@@H]2C([C@H](C1)N2)C3=CC=C(C=C3)C4=CC=CC=C4C

1 reference

BRD-K01214267-019-01-9 (English)

InChI=1S/C22H27N3O/c1-3-12-23-22(26)25-13-19-21(20(14-25)24-19)17-10-8-16(9-11-17)18-7-5-4-6-15(18)2/h4-11,19-21,24H,3,12-14H2,1-2H3,(H,23,26)/t19-,20+,21?

11 October 2016

Identifiers

InChI

1 reference

BRD-K01214267-019-01-9 (English)

FHCHSUYKGBLCHD-WCRBZPEASA-N

11 October 2016

InChIKey

2 references

BRD-K01214267-019-01-9 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K01214267-019-01-9 (English)

matched by identifier from

11 October 2016

InChIKey

FHCHSUYKGBLCHD-WCRBZPEASA-N

ChEBI ID

125001

mapping relation type

2 references

(1S,5R)-7-[4-(2-methylphenyl)phenyl]-N-propyl-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (English)