(Q27166502)

SCHEMBL185621 (English)

9 October 2016

1 reference

C₂₄H₂₅ClFN₅O₃

1 reference

SCHEMBL185621 (English)

9 October 2016

canonical SMILES

CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)OC4CCOC4

1 reference

SCHEMBL185621 (English)

9 October 2016

isomeric SMILES

CN(C)CC=CC(=O)NC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)F)Cl)O[C@H]4CCOC4

1 reference

SCHEMBL185621 (English)

InChI=1S/C24H25ClFN5O3/c1-31(2)8-3-4-23(32)30-21-11-17-20(12-22(21)34-16-7-9-33-13-16)27-14-28-24(17)29-15-5-6-19(26)18(25)10-15/h3-6,10-12,14,16H,7-9,13H2,1-2H3,(H,30,32)(H,27,28,29)/t16-/m0/s1

9 October 2016

Identifiers

InChI

1 reference

SCHEMBL185621 (English)

ULXXDDBFHOBEHA-INIZCTEOSA-N

9 October 2016

InChIKey

2 references

SCHEMBL185621 (English)

CAS (formerly Chemical Abstracts Service)

9 October 2016

stated in

ChEBI release 2020-09-01

CAS Registry Number

439081-18-2

1 reference

stated in

25 January 2022

1 reference

SCHEMBL185621 (English)

9 October 2016

ChEBI ID

94698

mapping relation type

1 reference