(1S,5R)-7-[4-(3-fluorophenyl)phenyl]-3-(5-pyrimidinylmethyl)-3,6-diazabicyclo[3.1.1]heptane (Q27215341)

BRD-K02098967-019-01-8 (English)

11 October 2016

chemical formula

C₂₂H₂₁FN₄

1 reference

BRD-K02098967-019-01-8 (English)

11 October 2016

canonical SMILES

C1C2C(C(N2)CN1CC3=CN=CN=C3)C4=CC=C(C=C4)C5=CC(=CC=C5)F

1 reference

BRD-K02098967-019-01-8 (English)

11 October 2016

isomeric SMILES

C1[C@@H]2C([C@@H](N2)CN1CC3=CN=CN=C3)C4=CC=C(C=C4)C5=CC(=CC=C5)F

1 reference

BRD-K02098967-019-01-8 (English)

InChI=1S/C22H21FN4/c23-19-3-1-2-18(8-19)16-4-6-17(7-5-16)22-20-12-27(13-21(22)26-20)11-15-9-24-14-25-10-15/h1-10,14,20-22,26H,11-13H2/t20-,21+,22?

11 October 2016

Identifiers

InChI

1 reference

BRD-K02098967-019-01-8 (English)

ZYWXWNJTNSSVNL-CBQGHPETSA-N

11 October 2016

InChIKey

2 references

BRD-K02098967-019-01-8 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K02098967-019-01-8 (English)

matched by identifier from

11 October 2016

InChIKey

ZYWXWNJTNSSVNL-CBQGHPETSA-N

ChEBI ID

125006

mapping relation type

2 references

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