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

Systemtic Name: 2-cyano-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 2-cyano-1-cyclopropyl-6-fluoro-4-oxo-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 2-cyano-1-cyclopropyl-6-fluoro-4-oxo-7-(3-phenyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 2-cyano-1-cyclopropyl-6-fluoro-4-oxo-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 2-cyano-1-cyclopropyl-6-fluoro-4-keto-7-(3-phenylpiperazino)quinoline-3-carboxylic acid Formula: C24H21FN4O3 MolecularWeight: 432.446943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=CC(=C(C=C3C(=O)C(=C2C#N)C(=O)O)F)N4CCNC(C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1N2C3=CC(=C(C=C3C(=O)C(=C2C#N)C(=O)O)F)N4CCNC(C4)C5=CC=CC=C5

InChI

InChI=1S/C24H21FN4O3/c25-17-10-16-19(29(15-6-7-15)21(12-26)22(23(16)30)24(31)32)11-20(17)28-9-8-27-18(13-28)14-4-2-1-3-5-14/h1-5,10-11,15,18,27H,6-9,13H2,(H,31,32)