(1R,5S)-6-[(3,5-dimethoxyphenyl)methyl]-7-[4-(4-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (Q27219590)

BRD-K27760381-001-01-0 (English)

11 October 2016

chemical formula

C₂₇H₃₀N₂O₂

1 reference

BRD-K27760381-001-01-0 (English)

11 October 2016

canonical SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3C4CNCC3N4CC5=CC(=CC(=C5)OC)OC

1 reference

BRD-K27760381-001-01-0 (English)

11 October 2016

isomeric SMILES

CC1=CC=C(C=C1)C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4CC5=CC(=CC(=C5)OC)OC

1 reference

BRD-K27760381-001-01-0 (English)

InChI=1S/C27H30N2O2/c1-18-4-6-20(7-5-18)21-8-10-22(11-9-21)27-25-15-28-16-26(27)29(25)17-19-12-23(30-2)14-24(13-19)31-3/h4-14,25-28H,15-17H2,1-3H3/t25-,26+,27?

11 October 2016

Identifiers

InChI

1 reference

BRD-K27760381-001-01-0 (English)

RECJSIILAGWOGU-ZVBBVAIHSA-N

11 October 2016

InChIKey

2 references

BRD-K27760381-001-01-0 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K27760381-001-01-0 (English)

matched by identifier from

11 October 2016

InChIKey

RECJSIILAGWOGU-ZVBBVAIHSA-N

ChEBI ID

127222

mapping relation type

2 references

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