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

Systemtic Name: 5-acetamido-1-cyclopropyl-6,8-bis(fluoranyl)-7-(4-methanoylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 5-acetamido-1-cyclopropyl-6,8-difluoro-7-(4-formylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 5-acetamido-1-cyclopropyl-6,8-difluoro-7-(4-formyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 5-acetamido-1-cyclopropyl-6,8-difluoro-7-(4-formylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 5-acetamido-1-cyclopropyl-6,8-difluoro-7-(4-formylpiperazino)-4-keto-quinoline-3-carboxylic acid Formula: C20H20F2N4O5 MolecularWeight: 434.393406

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=C(C2=C1C(=O)C(=CN2C3CC3)C(=O)O)F)N4CCN(CC4)C=O)F

Isomeric SMILES

CC(=O)NC1=C(C(=C(C2=C1C(=O)C(=CN2C3CC3)C(=O)O)F)N4CCN(CC4)C=O)F

InChI

InChI=1S/C20H20F2N4O5/c1-10(28)23-16-13-17(26(11-2-3-11)8-12(19(13)29)20(30)31)15(22)18(14(16)21)25-6-4-24(9-27)5-7-25/h8-9,11H,2-7H2,1H3,(H,23,28)(H,30,31)