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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(3-oxidanylidenebutyl)-3-phenyl-piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(3-oxobutyl)-3-phenyl-piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(3-oxobutyl)-3-phenyl-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(3-oxobutyl)-3-phenylpiperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-(3-ketobutyl)-3-phenyl-piperazino]quinoline-3-carboxylic acid Formula: C27H28FN3O4 MolecularWeight: 477.527323

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CCN1CCN(CC1C2=CC=CC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

Isomeric SMILES

CC(=O)CCN1CCN(CC1C2=CC=CC=C2)C3=C(C=C4C(=C3)N(C=C(C4=O)C(=O)O)C5CC5)F

InChI

InChI=1S/C27H28FN3O4/c1-17(32)9-10-29-11-12-30(16-25(29)18-5-3-2-4-6-18)24-14-23-20(13-22(24)28)26(33)21(27(34)35)15-31(23)19-7-8-19/h2-6,13-15,19,25H,7-12,16H2,1H3,(H,34,35)