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

Systemtic Name: 6-fluoranyl-1-[2-(3-fluoranylpiperazin-1-yl)phenyl]-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 6-fluoro-1-[2-(3-fluoropiperazin-1-yl)phenyl]-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 6-fluoro-1-[2-(3-fluoro-1-piperazinyl)phenyl]-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 6-fluoro-1-[2-(3-fluoropiperazin-1-yl)phenyl]-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 6-fluoro-1-[2-(3-fluoropiperazino)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=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4N5CCNC(C5)F)F

Isomeric SMILES

C1CN(CCN1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4=CC=CC=C4N5CCNC(C5)F)F

InChI

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