8-cyano-1-cyclopropyl-6-fluoranyl-5-methyl-4-oxidanylidene-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 8-cyano-1-cyclopropyl-6-fluoranyl-5-methyl-4-oxidanylidene-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 8-cyano-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 8-cyano-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(3-phenyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 8-cyano-1-cyclopropyl-6-fluoro-5-methyl-4-oxo-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 8-cyano-1-cyclopropyl-6-fluoro-4-keto-5-methyl-7-(3-phenylpiperazino)quinoline-3-carboxylic acid Formula: C25H23FN4O3 MolecularWeight: 446.473523

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C(=C1F)N3CCNC(C3)C4=CC=CC=C4)C#N)N(C=C(C2=O)C(=O)O)C5CC5

Isomeric SMILES

CC1=C2C(=C(C(=C1F)N3CCNC(C3)C4=CC=CC=C4)C#N)N(C=C(C2=O)C(=O)O)C5CC5

InChI

InChI=1S/C25H23FN4O3/c1-14-20-22(30(16-7-8-16)12-18(24(20)31)25(32)33)17(11-27)23(21(14)26)29-10-9-28-19(13-29)15-5-3-2-4-6-15/h2-6,12,16,19,28H,7-10,13H2,1H3,(H,32,33)