5-azanyl-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 5-azanyl-1-cyclopropyl-6-fluoranyl-8-methyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 5-amino-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 5-amino-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 5-amino-1-cyclopropyl-6-fluoro-8-methyl-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 5-amino-1-cyclopropyl-6-fluoro-4-keto-8-methyl-7-piperazino-quinoline-3-carboxylic acid Formula: C18H21FN4O3 MolecularWeight: 360.382743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)N4CCNCC4

Isomeric SMILES

CC1=C(C(=C(C2=C1N(C=C(C2=O)C(=O)O)C3CC3)N)F)N4CCNCC4

InChI

InChI=1S/C18H21FN4O3/c1-9-15-12(14(20)13(19)16(9)22-6-4-21-5-7-22)17(24)11(18(25)26)8-23(15)10-2-3-10/h8,10,21H,2-7,20H2,1H3,(H,25,26)