5-azanyl-6,8-bis(fluoranyl)-2-[3-fluoranyl-4-(6-pyrrolidin-1-ylhexylamino)phenyl]chromen-4-one

Systemtic Name: 5-azanyl-6,8-bis(fluoranyl)-2-[3-fluoranyl-4-(6-pyrrolidin-1-ylhexylamino)phenyl]chromen-4-one Openeye Name: 5-amino-6,8-difluoro-2-[3-fluoro-4-(6-pyrrolidin-1-ylhexylamino)phenyl]chromen-4-one CAS Name: 5-amino-6,8-difluoro-2-[3-fluoro-4-[6-(1-pyrrolidinyl)hexylamino]phenyl]-1-benzopyran-4-one IUPAC Name: 5-amino-6,8-difluoro-2-[3-fluoro-4-(6-pyrrolidin-1-ylhexylamino)phenyl]chromen-4-one Traditional Name: 5-amino-6,8-difluoro-2-[3-fluoro-4-(6-pyrrolidinohexylamino)phenyl]chromone Formula: C25H28F3N3O2 MolecularWeight: 459.50393

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCCCCNC2=C(C=C(C=C2)C3=CC(=O)C4=C(C(=CC(=C4O3)F)F)N)F

Isomeric SMILES

C1CCN(C1)CCCCCCNC2=C(C=C(C=C2)C3=CC(=O)C4=C(C(=CC(=C4O3)F)F)N)F

InChI

InChI=1S/C25H28F3N3O2/c26-17-13-16(22-15-21(32)23-24(29)18(27)14-19(28)25(23)33-22)7-8-20(17)30-9-3-1-2-4-10-31-11-5-6-12-31/h7-8,13-15,30H,1-6,9-12,29H2