1-cyclopropyl-6-fluoranyl-7-[4-(hexylcarbamoyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[4-(hexylcarbamoyl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-(hexylcarbamoyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-[(hexylamino)-oxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-(hexylcarbamoyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-[4-(hexylcarbamoyl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C24H31FN4O4 MolecularWeight: 458.525743

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

Isomeric SMILES

CCCCCCNC(=O)N1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F

InChI

InChI=1S/C24H31FN4O4/c1-2-3-4-5-8-26-24(33)28-11-9-27(10-12-28)21-14-20-17(13-19(21)25)22(30)18(23(31)32)15-29(20)16-6-7-16/h13-16H,2-12H2,1H3,(H,26,33)(H,31,32)