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

Systemtic Name: 6-fluoranyl-1-(2-fluoranyl-4-piperazin-1-yl-phenyl)-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(2-fluoro-4-piperazin-1-yl-phenyl)-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-[2-fluoro-4-(1-piperazinyl)phenyl]-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-(2-fluoro-4-piperazin-1-ylphenyl)-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-(2-fluoro-4-piperazino-phenyl)-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C24H25F2N5O3 MolecularWeight: 469.483806

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC(=C(C=C2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCNCC5)F)C(=O)O)F

Isomeric SMILES

C1CN(CCN1)C2=CC(=C(C=C2)N3C=C(C(=O)C4=CC(=C(C=C43)N5CCNCC5)F)C(=O)O)F

InChI

InChI=1S/C24H25F2N5O3/c25-18-11-15(29-7-3-27-4-8-29)1-2-20(18)31-14-17(24(33)34)23(32)16-12-19(26)22(13-21(16)31)30-9-5-28-6-10-30/h1-2,11-14,27-28H,3-10H2,(H,33,34)