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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[3-(phenoxymethyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(phenoxymethyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(phenoxymethyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(phenoxymethyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[3-(phenoxymethyl)piperazino]quinoline-3-carboxylic acid Formula: C24H24FN3O4 MolecularWeight: 437.463463

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)COC5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)COC5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C24H24FN3O4/c25-20-10-18-21(28(16-6-7-16)13-19(23(18)29)24(30)31)11-22(20)27-9-8-26-15(12-27)14-32-17-4-2-1-3-5-17/h1-5,10-11,13,15-16,26H,6-9,12,14H2,(H,30,31)