1-cyclopropyl-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-5-pyrrol-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-5-pyrrol-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-5-pyrrol-1-yl-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-7-(4-methyl-1-piperazinyl)-4-oxo-5-(1-pyrrolyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-5-pyrrol-1-ylquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-(4-methylpiperazino)-5-pyrrol-1-yl-quinoline-3-carboxylic acid Formula: C22H22F2N4O3 MolecularWeight: 428.431886

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=C(C(=C2F)N4C=CC=C4)C(=O)C(=CN3C5CC5)C(=O)O)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=C(C(=C2F)N4C=CC=C4)C(=O)C(=CN3C5CC5)C(=O)O)F

InChI

InChI=1S/C22H22F2N4O3/c1-25-8-10-27(11-9-25)20-16(23)18(26-6-2-3-7-26)15-19(17(20)24)28(13-4-5-13)12-14(21(15)29)22(30)31/h2-3,6-7,12-13H,4-5,8-11H2,1H3,(H,30,31)