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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[3-(4-piperidin-1-ylphenyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-[4-(1-piperidyl)phenyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-[4-(1-piperidinyl)phenyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[3-(4-piperidin-1-ylphenyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[3-(4-piperidinophenyl)piperazino]quinoline-3-carboxylic acid Formula: C28H31FN4O3 MolecularWeight: 490.569143

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(=C4)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(=C4)N(C=C(C5=O)C(=O)O)C6CC6)F

InChI

InChI=1S/C28H31FN4O3/c29-23-14-21-25(33(20-8-9-20)16-22(27(21)34)28(35)36)15-26(23)32-13-10-30-24(17-32)18-4-6-19(7-5-18)31-11-2-1-3-12-31/h4-7,14-16,20,24,30H,1-3,8-13,17H2,(H,35,36)