(1S,5R)-6-(1,3-benzodioxol-5-ylmethyl)-7-[4-(3-pyridinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (Q27218200)

BRD-K14086402-001-01-0 (English)

11 October 2016

chemical formula

C₂₄H₂₃N₃O₂

1 reference

BRD-K14086402-001-01-0 (English)

11 October 2016

canonical SMILES

C1C2C(C(N2CC3=CC4=C(C=C3)OCO4)CN1)C5=CC=C(C=C5)C6=CN=CC=C6

1 reference

BRD-K14086402-001-01-0 (English)

11 October 2016

isomeric SMILES

C1[C@@H]2C([C@@H](N2CC3=CC4=C(C=C3)OCO4)CN1)C5=CC=C(C=C5)C6=CN=CC=C6

1 reference

BRD-K14086402-001-01-0 (English)

InChI=1S/C24H23N3O2/c1-2-19(11-25-9-1)17-4-6-18(7-5-17)24-20-12-26-13-21(24)27(20)14-16-3-8-22-23(10-16)29-15-28-22/h1-11,20-21,24,26H,12-15H2/t20-,21+,24?

11 October 2016

Identifiers

InChI

1 reference

BRD-K14086402-001-01-0 (English)

MOWVSYWSPRYQKN-SVGJNIJCSA-N

11 October 2016

InChIKey

2 references

BRD-K14086402-001-01-0 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K14086402-001-01-0 (English)

matched by identifier from

11 October 2016

InChIKey

MOWVSYWSPRYQKN-SVGJNIJCSA-N

ChEBI ID

126425

mapping relation type

2 references

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