6-fluoranyl-1-(1-methylcyclobutyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(1-methylcyclobutyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(1-methylcyclobutyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-(1-methylcyclobutyl)-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(1-methylcyclobutyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-(1-methylcyclobutyl)-7-piperazino-quinoline-3-carboxylic acid Formula: C19H22FN3O3 MolecularWeight: 359.394683

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

Isomeric SMILES

CC1(CCC1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCNCC4)F)C(=O)O

InChI

InChI=1S/C19H22FN3O3/c1-19(3-2-4-19)23-11-13(18(25)26)17(24)12-9-14(20)16(10-15(12)23)22-7-5-21-6-8-22/h9-11,21H,2-8H2,1H3,(H,25,26)