5-azanyl-2-(4-azanyl-3-fluoranyl-phenyl)-6,8-bis(fluoranyl)-7-(hexoxymethyl)chromen-4-one

Systemtic Name: 5-azanyl-2-(4-azanyl-3-fluoranyl-phenyl)-6,8-bis(fluoranyl)-7-(hexoxymethyl)chromen-4-one Openeye Name: 5-amino-2-(4-amino-3-fluoro-phenyl)-6,8-difluoro-7-(hexoxymethyl)chromen-4-one CAS Name: 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(hexoxymethyl)-1-benzopyran-4-one IUPAC Name: 5-amino-2-(4-amino-3-fluorophenyl)-6,8-difluoro-7-(hexoxymethyl)chromen-4-one Traditional Name: 5-amino-2-(4-amino-3-fluoro-phenyl)-6,8-difluoro-7-(hexoxymethyl)chromone Formula: C22H23F3N2O3 MolecularWeight: 420.42483

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)N)F)N)F

Isomeric SMILES

CCCCCCOCC1=C(C(=C2C(=O)C=C(OC2=C1F)C3=CC(=C(C=C3)N)F)N)F

InChI

InChI=1S/C22H23F3N2O3/c1-2-3-4-5-8-29-11-13-19(24)21(27)18-16(28)10-17(30-22(18)20(13)25)12-6-7-15(26)14(23)9-12/h6-7,9-10H,2-5,8,11,26-27H2,1H3