(1R,5S)-6-[(3-methoxyphenyl)methyl]-7-[4-(2-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (Q27220398)

BRD-K36337571-001-01-6 (English)

11 October 2016

chemical formula

C₂₆H₂₈N₂O

1 reference

BRD-K36337571-001-01-6 (English)

11 October 2016

canonical SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C3C4CNCC3N4CC5=CC(=CC=C5)OC

1 reference

BRD-K36337571-001-01-6 (English)

11 October 2016

isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4CC5=CC(=CC=C5)OC

1 reference

BRD-K36337571-001-01-6 (English)

InChI=1S/C26H28N2O/c1-18-6-3-4-9-23(18)20-10-12-21(13-11-20)26-24-15-27-16-25(26)28(24)17-19-7-5-8-22(14-19)29-2/h3-14,24-27H,15-17H2,1-2H3/t24-,25+,26?

11 October 2016

Identifiers

InChI

1 reference

BRD-K36337571-001-01-6 (English)

OYELXRJYEAPJAX-IQCGEYIDSA-N

11 October 2016

InChIKey

2 references

BRD-K36337571-001-01-6 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K36337571-001-01-6 (English)

matched by identifier from

11 October 2016

InChIKey

OYELXRJYEAPJAX-IQCGEYIDSA-N

ChEBI ID

127704

mapping relation type

2 references

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