1-cyclopropyl-6-fluoranyl-7-[3-(furan-2-yl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[3-(furan-2-yl)piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[3-(2-furyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[3-(2-furanyl)-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[3-(furan-2-yl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-[3-(2-furyl)piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C21H20FN3O4 MolecularWeight: 397.399603

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C5=CC=CO5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNC(C4)C5=CC=CO5)F)C(=O)O

InChI

InChI=1S/C21H20FN3O4/c22-15-8-13-17(25(12-3-4-12)10-14(20(13)26)21(27)28)9-18(15)24-6-5-23-16(11-24)19-2-1-7-29-19/h1-2,7-10,12,16,23H,3-6,11H2,(H,27,28)