(1R,5S)-6-[(2-fluorophenyl)methyl]-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (Q27221663)

BRD-K52913754-001-01-2 (English)

11 October 2016

chemical formula

C₂₅H₂₅FN₂O

1 reference

BRD-K52913754-001-01-2 (English)

11 October 2016

canonical SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)C3C4CNCC3N4CC5=CC=CC=C5F

1 reference

BRD-K52913754-001-01-2 (English)

11 October 2016

isomeric SMILES

COC1=CC=CC(=C1)C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4CC5=CC=CC=C5F

1 reference

BRD-K52913754-001-01-2 (English)

InChI=1S/C25H25FN2O/c1-29-21-7-4-6-19(13-21)17-9-11-18(12-10-17)25-23-14-27-15-24(25)28(23)16-20-5-2-3-8-22(20)26/h2-13,23-25,27H,14-16H2,1H3/t23-,24+,25?

11 October 2016

Identifiers

InChI

1 reference

BRD-K52913754-001-01-2 (English)

CUQPRTZJLUEGSO-XMGLRAKGSA-N

11 October 2016

InChIKey

2 references

BRD-K52913754-001-01-2 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K52913754-001-01-2 (English)

matched by identifier from

11 October 2016

InChIKey

CUQPRTZJLUEGSO-XMGLRAKGSA-N

ChEBI ID

128627

mapping relation type

2 references

(1R,5S)-6-[(2-fluorophenyl)methyl]-7-[4-(3-methoxyphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (English)