1-(4-azanyl-1-methyl-pyrrol-3-yl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-(4-azanyl-1-methyl-pyrrol-3-yl)-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-(4-amino-1-methyl-pyrrol-3-yl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-(4-amino-1-methyl-3-pyrrolyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-(4-amino-1-methylpyrrol-3-yl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-(4-amino-1-methyl-pyrrol-3-yl)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C19H20FN5O3 MolecularWeight: 385.392203

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C(=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O)N

Isomeric SMILES

CN1C=C(C(=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O)N

InChI

InChI=1S/C19H20FN5O3/c1-23-9-14(21)17(10-23)25-8-12(19(27)28)18(26)11-6-13(20)16(7-15(11)25)24-4-2-22-3-5-24/h6-10,22H,2-5,21H2,1H3,(H,27,28)