(Q27217732)

BRD-K10064333-001-01-5 (English)

11 October 2016

chemical formula

C₂₆H₂₆N₂O₂

1 reference

BRD-K10064333-001-01-5 (English)

11 October 2016

canonical SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C3C4CNCC3N4CC5=CC6=C(C=C5)OCO6

1 reference

BRD-K10064333-001-01-5 (English)

11 October 2016

isomeric SMILES

CC1=CC=CC=C1C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4CC5=CC6=C(C=C5)OCO6

1 reference

BRD-K10064333-001-01-5 (English)

InChI=1S/C26H26N2O2/c1-17-4-2-3-5-21(17)19-7-9-20(10-8-19)26-22-13-27-14-23(26)28(22)15-18-6-11-24-25(12-18)30-16-29-24/h2-12,22-23,26-27H,13-16H2,1H3/t22-,23+,26?

11 October 2016

Identifiers

InChI

1 reference

BRD-K10064333-001-01-5 (English)

FORPUHREVNKSEE-XZQOPNAISA-N

11 October 2016

InChIKey

2 references

BRD-K10064333-001-01-5 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K10064333-001-01-5 (English)

matched by identifier from

11 October 2016

InChIKey

FORPUHREVNKSEE-XZQOPNAISA-N

ChEBI ID

126232

mapping relation type

2 references

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