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

Systemtic Name: 8-cyano-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 8-cyano-1-cyclopropyl-6-fluoro-4-oxo-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 8-cyano-1-cyclopropyl-6-fluoro-4-oxo-7-(3-phenyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 8-cyano-1-cyclopropyl-6-fluoro-4-oxo-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 8-cyano-1-cyclopropyl-6-fluoro-4-keto-7-(3-phenylpiperazino)quinoline-3-carboxylic acid Formula: C24H21FN4O3 MolecularWeight: 432.446943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C#N)N4CCNC(C4)C5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C#N)N4CCNC(C4)C5=CC=CC=C5)F)C(=O)O

InChI

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