7-(4-azanyl-1,3-dihydroisoindol-2-yl)-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 7-(4-azanyl-1,3-dihydroisoindol-2-yl)-1-ethyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(4-aminoisoindolin-2-yl)-1-ethyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 7-(4-amino-1,3-dihydroisoindol-2-yl)-1-ethyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 7-(4-amino-1,3-dihydroisoindol-2-yl)-1-ethyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(4-aminoisoindolin-2-yl)-1-ethyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C20H17F2N3O3 MolecularWeight: 385.364086

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CC4=C(C3)C(=CC=C4)N)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C(=C21)F)N3CC4=C(C3)C(=CC=C4)N)F)C(=O)O

InChI

InChI=1S/C20H17F2N3O3/c1-2-24-9-13(20(27)28)19(26)11-6-14(21)18(16(22)17(11)24)25-7-10-4-3-5-15(23)12(10)8-25/h3-6,9H,2,7-8,23H2,1H3,(H,27,28)