5-azanyl-7-(5-azanyl-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-7-(5-azanyl-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-amino-7-(5-aminoisoindolin-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-amino-7-(5-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-amino-7-(5-amino-1,3-dihydroisoindol-2-yl)-1-cyclopropyl-6,8-difluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-amino-7-(5-aminoisoindolin-2-yl)-1-cyclopropyl-6,8-difluoro-4-keto-quinoline-3-carboxylic acid Formula: C21H18F2N4O3 MolecularWeight: 412.389426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CC5=C(C4)C=C(C=C5)N)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C(=C3N)F)N4CC5=C(C4)C=C(C=C5)N)F)C(=O)O

InChI

InChI=1S/C21H18F2N4O3/c22-15-17(25)14-18(27(12-3-4-12)8-13(20(14)28)21(29)30)16(23)19(15)26-6-9-1-2-11(24)5-10(9)7-26/h1-2,5,8,12H,3-4,6-7,24-25H2,(H,29,30)