(1R,5S)-N-(3-methoxyphenyl)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide (Q27216607)

BRD-K03522229-001-01-8 (English)

11 October 2016

chemical formula

C₂₄H₂₄N₄O₂

1 reference

BRD-K03522229-001-01-8 (English)

11 October 2016

canonical SMILES

COC1=CC=CC(=C1)NC(=O)N2C3CNCC2C3C4=CC=C(C=C4)C5=CC=NC=C5

1 reference

BRD-K03522229-001-01-8 (English)

11 October 2016

isomeric SMILES

COC1=CC=CC(=C1)NC(=O)N2[C@@H]3CNC[C@H]2C3C4=CC=C(C=C4)C5=CC=NC=C5

1 reference

BRD-K03522229-001-01-8 (English)

InChI=1S/C24H24N4O2/c1-30-20-4-2-3-19(13-20)27-24(29)28-21-14-26-15-22(28)23(21)18-7-5-16(6-8-18)17-9-11-25-12-10-17/h2-13,21-23,26H,14-15H2,1H3,(H,27,29)/t21-,22+,23?

11 October 2016

Identifiers

InChI

1 reference

BRD-K03522229-001-01-8 (English)

YMBDSKWBQLBVHQ-AIZNXBIQSA-N

11 October 2016

InChIKey

2 references

BRD-K03522229-001-01-8 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K03522229-001-01-8 (English)

matched by identifier from

11 October 2016

InChIKey

YMBDSKWBQLBVHQ-AIZNXBIQSA-N

ChEBI ID

125901

mapping relation type

2 references

(1R,5S)-N-(3-methoxyphenyl)-7-(4-pyridin-4-ylphenyl)-3,6-diazabicyclo[3.1.1]heptane-6-carboxamide (English)