8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[3-(4-piperidin-1-ylphenyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[3-(4-piperidin-1-ylphenyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-[3-[4-(1-piperidyl)phenyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-[3-[4-(1-piperidinyl)phenyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-[3-(4-piperidin-1-ylphenyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 8-chloro-1-cyclopropyl-6-fluoro-4-keto-7-[3-(4-piperidinophenyl)piperazino]quinoline-3-carboxylic acid Formula: C28H30ClFN4O3 MolecularWeight: 525.014203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=CC=C(C=C2)C3CN(CCN3)C4=C(C=C5C(=C4Cl)N(C=C(C5=O)C(=O)O)C6CC6)F

Isomeric SMILES

C1CCN(CC1)C2=CC=C(C=C2)C3CN(CCN3)C4=C(C=C5C(=C4Cl)N(C=C(C5=O)C(=O)O)C6CC6)F

InChI

InChI=1S/C28H30ClFN4O3/c29-24-25-20(27(35)21(28(36)37)15-34(25)19-8-9-19)14-22(30)26(24)33-13-10-31-23(16-33)17-4-6-18(7-5-17)32-11-2-1-3-12-32/h4-7,14-15,19,23,31H,1-3,8-13,16H2,(H,36,37)