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

Systemtic Name: 8-chloranyl-1-[4-(2-dimethylaminoethyl)phenyl]-6-fluoranyl-4-oxidanylidene-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-[4-(2-dimethylaminoethyl)phenyl]-6-fluoro-4-oxo-7-[4-(2-pyridyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 8-chloro-1-[4-(2-dimethylaminoethyl)phenyl]-6-fluoro-4-oxo-7-[4-(2-pyridinyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-[4-(2-dimethylaminoethyl)phenyl]-6-fluoro-4-oxo-7-(4-pyridin-2-ylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 8-chloro-1-[4-(2-dimethylaminoethyl)phenyl]-6-fluoro-4-keto-7-[4-(2-pyridyl)piperazino]quinoline-3-carboxylic acid Formula: C29H29ClFN5O3 MolecularWeight: 550.023663

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCN(CC4)C5=CC=CC=N5)F)C(=O)O

Isomeric SMILES

CN(C)CCC1=CC=C(C=C1)N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCN(CC4)C5=CC=CC=N5)F)C(=O)O

InChI

InChI=1S/C29H29ClFN5O3/c1-33(2)12-10-19-6-8-20(9-7-19)36-18-22(29(38)39)28(37)21-17-23(31)27(25(30)26(21)36)35-15-13-34(14-16-35)24-5-3-4-11-32-24/h3-9,11,17-18H,10,12-16H2,1-2H3,(H,38,39)