4-[3-(dimethylamino)propyl]-6-fluoranyl-3-oxidanylidene-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid

Systemtic Name: 4-[3-(dimethylamino)propyl]-6-fluoranyl-3-oxidanylidene-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid Openeye Name: 4-[3-(dimethylamino)propyl]-6-fluoro-3-oxo-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid CAS Name: 4-[3-(dimethylamino)propyl]-6-fluoro-3-oxo-2-phenyl-5-(1-piperazinylmethyl)-4-quinolinecarboxylic acid IUPAC Name: 4-[3-(dimethylamino)propyl]-6-fluoro-3-oxo-2-phenyl-5-(piperazin-1-ylmethyl)quinoline-4-carboxylic acid Traditional Name: 4-[3-(dimethylamino)propyl]-6-fluoro-3-keto-2-phenyl-5-(piperazinomethyl)cinchoninic acid Formula: C26H31FN4O3 MolecularWeight: 466.547743

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC1(C2=C(C=CC(=C2CN3CCNCC3)F)N=C(C1=O)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CN(C)CCCC1(C2=C(C=CC(=C2CN3CCNCC3)F)N=C(C1=O)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C26H31FN4O3/c1-30(2)14-6-11-26(25(33)34)22-19(17-31-15-12-28-13-16-31)20(27)9-10-21(22)29-23(24(26)32)18-7-4-3-5-8-18/h3-5,7-10,28H,6,11-17H2,1-2H3,(H,33,34)