(1R,5S)-6-[(3-fluorophenyl)methyl]-7-[4-(3-methylphenyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane (Q27224580)

BRD-K93386351-001-01-9 (English)

12 October 2016

chemical formula

C₂₅H₂₅FN₂

1 reference

BRD-K93386351-001-01-9 (English)

12 October 2016

canonical SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)C3C4CNCC3N4CC5=CC(=CC=C5)F

1 reference

BRD-K93386351-001-01-9 (English)

12 October 2016

isomeric SMILES

CC1=CC=CC(=C1)C2=CC=C(C=C2)C3[C@H]4CNC[C@@H]3N4CC5=CC(=CC=C5)F

1 reference

BRD-K93386351-001-01-9 (English)

InChI=1S/C25H25FN2/c1-17-4-2-6-21(12-17)19-8-10-20(11-9-19)25-23-14-27-15-24(25)28(23)16-18-5-3-7-22(26)13-18/h2-13,23-25,27H,14-16H2,1H3/t23-,24+,25?

12 October 2016

Identifiers

InChI

1 reference

BRD-K93386351-001-01-9 (English)

WSVNFXWADMNKEI-XMGLRAKGSA-N

12 October 2016

InChIKey

2 references

BRD-K93386351-001-01-9 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K93386351-001-01-9 (English)

matched by identifier from

12 October 2016

InChIKey

WSVNFXWADMNKEI-XMGLRAKGSA-N

ChEBI ID

130799

mapping relation type

2 references

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