6,8-bis(fluoranyl)-1-(1-methylcyclopropyl)-4-oxidanylidene-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 6,8-bis(fluoranyl)-1-(1-methylcyclopropyl)-4-oxidanylidene-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 6,8-difluoro-1-(1-methylcyclopropyl)-4-oxo-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 6,8-difluoro-1-(1-methylcyclopropyl)-4-oxo-7-(3-phenyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6,8-difluoro-1-(1-methylcyclopropyl)-4-oxo-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 6,8-difluoro-4-keto-1-(1-methylcyclopropyl)-7-(3-phenylpiperazino)quinoline-3-carboxylic acid Formula: C24H23F2N3O3 MolecularWeight: 439.454526

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC1)N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCNC(C4)C5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

CC1(CC1)N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCNC(C4)C5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C24H23F2N3O3/c1-24(7-8-24)29-12-16(23(31)32)22(30)15-11-17(25)21(19(26)20(15)29)28-10-9-27-18(13-28)14-5-3-2-4-6-14/h2-6,11-12,18,27H,7-10,13H2,1H3,(H,31,32)