3-[3,4-bis(fluoranyl)phenyl]-6-ethoxy-2-(oxidanylamino)-3-propyl-4H-isoquinolin-1-one

Systemtic Name: 3-[3,4-bis(fluoranyl)phenyl]-6-ethoxy-2-(oxidanylamino)-3-propyl-4H-isoquinolin-1-one Openeye Name: 3-(3,4-difluorophenyl)-6-ethoxy-2-(hydroxyamino)-3-propyl-4H-isoquinolin-1-one CAS Name: 3-(3,4-difluorophenyl)-6-ethoxy-2-(hydroxyamino)-3-propyl-4H-isoquinolin-1-one IUPAC Name: 3-(3,4-difluorophenyl)-6-ethoxy-2-(hydroxyamino)-3-propyl-4H-isoquinolin-1-one Traditional Name: 3-(3,4-difluorophenyl)-6-ethoxy-2-(hydroxyamino)-3-propyl-4H-isoquinolin-1-one Formula: C20H22F2N2O3 MolecularWeight: 376.397086

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1(CC2=C(C=CC(=C2)OCC)C(=O)N1NO)C3=CC(=C(C=C3)F)F

Isomeric SMILES

CCCC1(CC2=C(C=CC(=C2)OCC)C(=O)N1NO)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C20H22F2N2O3/c1-3-9-20(14-5-8-17(21)18(22)11-14)12-13-10-15(27-4-2)6-7-16(13)19(25)24(20)23-26/h5-8,10-11,23,26H,3-4,9,12H2,1-2H3