(1R,5S)-N-(3-fluorophenyl)-7-[4-(5-pyrimidinyl)phenyl]-3,6-diazabicyclo[3.1.1]heptane-3-carboxamide (Q27215453)

BRD-K62200616-019-01-2 (English)

11 October 2016

chemical formula

C₂₂H₂₀FN₅O

1 reference

BRD-K62200616-019-01-2 (English)

11 October 2016

canonical SMILES

C1C2C(C(N2)CN1C(=O)NC3=CC(=CC=C3)F)C4=CC=C(C=C4)C5=CN=CN=C5

1 reference

BRD-K62200616-019-01-2 (English)

11 October 2016

isomeric SMILES

C1[C@@H]2C([C@@H](N2)CN1C(=O)NC3=CC(=CC=C3)F)C4=CC=C(C=C4)C5=CN=CN=C5

1 reference

BRD-K62200616-019-01-2 (English)

InChI=1S/C22H20FN5O/c23-17-2-1-3-18(8-17)26-22(29)28-11-19-21(20(12-28)27-19)15-6-4-14(5-7-15)16-9-24-13-25-10-16/h1-10,13,19-21,27H,11-12H2,(H,26,29)/t19-,20+,21?

11 October 2016

Identifiers

InChI

1 reference

BRD-K62200616-019-01-2 (English)

LDBAZNWOVYQXEL-WCRBZPEASA-N

11 October 2016

InChIKey

2 references

BRD-K62200616-019-01-2 (English)

11 October 2016

stated in

ChEBI release 2020-09-01

2 references

BRD-K62200616-019-01-2 (English)

matched by identifier from

11 October 2016

InChIKey

LDBAZNWOVYQXEL-WCRBZPEASA-N

ChEBI ID

125111

mapping relation type

2 references

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