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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[3-(1H-pyrrol-3-yl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(1H-pyrrol-3-yl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(1H-pyrrol-3-yl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(1H-pyrrol-3-yl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[3-(1H-pyrrol-3-yl)piperazino]quinoline-3-carboxylic acid Formula: C21H21FN4O3 MolecularWeight: 396.414843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN4O3/c22-16-7-14-18(26(13-1-2-13)10-15(20(14)27)21(28)29)8-19(16)25-6-5-24-17(11-25)12-3-4-23-9-12/h3-4,7-10,13,17,23-24H,1-2,5-6,11H2,(H,28,29)