1-[4-(dimethylaminomethyl)phenyl]-6-fluoranyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-[4-(dimethylaminomethyl)phenyl]-6-fluoranyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-[4-(dimethylaminomethyl)phenyl]-6-fluoro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-[4-(dimethylaminomethyl)phenyl]-6-fluoro-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-[4-(dimethylaminomethyl)phenyl]-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-[4-(dimethylaminomethyl)phenyl]-6-fluoro-4-keto-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C28H28FN5O3 MolecularWeight: 501.552023

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CC1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=CC=CC=N5)F)C(=O)O

Isomeric SMILES

CN(C)CC1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C5=CC=CC=N5)F)C(=O)O

InChI

InChI=1S/C28H28FN5O3/c1-31(2)17-19-6-8-20(9-7-19)34-18-22(28(36)37)27(35)21-15-23(29)25(16-24(21)34)32-11-13-33(14-12-32)26-5-3-4-10-30-26/h3-10,15-16,18H,11-14,17H2,1-2H3,(H,36,37)