(Q27223889)

BRD-K20495001-001-01-0 (English)

12 October 2016

chemical formula

C₂₃H₂₁FN₄O

1 reference

BRD-K20495001-001-01-0 (English)

12 October 2016

canonical SMILES

C1C2C(C(N2C(=O)NC3=CC=C(C=C3)F)CN1)C4=CC=C(C=C4)C5=CN=CC=C5

1 reference

BRD-K20495001-001-01-0 (English)

12 October 2016

isomeric SMILES

C1[C@@H]2C([C@@H](N2C(=O)NC3=CC=C(C=C3)F)CN1)C4=CC=C(C=C4)C5=CN=CC=C5

1 reference

BRD-K20495001-001-01-0 (English)

InChI=1S/C23H21FN4O/c24-18-7-9-19(10-8-18)27-23(29)28-20-13-26-14-21(28)22(20)16-5-3-15(4-6-16)17-2-1-11-25-12-17/h1-12,20-22,26H,13-14H2,(H,27,29)/t20-,21+,22?

12 October 2016

Identifiers

InChI

1 reference

BRD-K20495001-001-01-0 (English)

VKNJKBHMVFHNAY-CBQGHPETSA-N

12 October 2016

InChIKey

2 references

BRD-K20495001-001-01-0 (English)

12 October 2016

stated in

ChEBI release 2020-09-01

1 reference

BRD-K20495001-001-01-0 (English)

12 October 2016

ChEBI ID

130152

mapping relation type

1 reference