6-fluoranyl-1-[2-fluoranyl-4-(3-methylpiperazin-1-yl)phenyl]-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-[2-fluoranyl-4-(3-methylpiperazin-1-yl)phenyl]-7-(3-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-[2-fluoro-4-(3-methylpiperazin-1-yl)phenyl]-7-(3-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-[2-fluoro-4-(3-methyl-1-piperazinyl)phenyl]-7-(3-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-[2-fluoro-4-(3-methylpiperazin-1-yl)phenyl]-7-(3-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-[2-fluoro-4-(3-methylpiperazino)phenyl]-4-keto-7-(3-methylpiperazino)quinoline-3-carboxylic acid Formula: C26H29F2N5O3 MolecularWeight: 497.536966

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN1)C2=CC(=C(C=C2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCNC(C5)C)F)C(=O)O)F

Isomeric SMILES

CC1CN(CCN1)C2=CC(=C(C=C2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCNC(C5)C)F)C(=O)O)F

InChI

InChI=1S/C26H29F2N5O3/c1-15-12-31(7-5-29-15)17-3-4-22(20(27)9-17)33-14-19(26(35)36)25(34)18-10-21(28)24(11-23(18)33)32-8-6-30-16(2)13-32/h3-4,9-11,14-16,29-30H,5-8,12-13H2,1-2H3,(H,35,36)