(1S,5R)-N-(1,3-benzodioxol-5-yl)-7-[4-(4-cyanophenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (Q27215455)

BRD-K65395967-019-01-2 (English)

11 October 2016

chemical formula

C₂₆H₂₂N₄O₃

1 reference

BRD-K65395967-019-01-2 (English)

11 October 2016

canonical SMILES

C1C2C(C(N2)CN1C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C6=CC=C(C=C6)C#N

1 reference

BRD-K65395967-019-01-2 (English)

11 October 2016

isomeric SMILES

C1[C@@H]2C([C@@H](N2)CN1C(=O)NC3=CC4=C(C=C3)OCO4)C5=CC=C(C=C5)C6=CC=C(C=C6)C#N

1 reference

BRD-K65395967-019-01-2 (English)

InChI=1S/C26H22N4O3/c27-12-16-1-3-17(4-2-16)18-5-7-19(8-6-18)25-21-13-30(14-22(25)29-21)26(31)28-20-9-10-23-24(11-20)33-15-32-23/h1-11,21-22,25,29H,13-15H2,(H,28,31)/t21-,22+,25?

11 October 2016

Identifiers

InChI

1 reference

BRD-K65395967-019-01-2 (English)

BIEAKEAKNXDGCH-OFFJZUQKSA-N

11 October 2016

InChIKey

2 references

BRD-K65395967-019-01-2 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K65395967-019-01-2 (English)

matched by identifier from

11 October 2016

InChIKey

BIEAKEAKNXDGCH-OFFJZUQKSA-N

ChEBI ID

125113

mapping relation type

2 references

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