1-[2,4-bis(fluoranyl)phenyl]-8-ethynyl-6-fluoranyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-8-ethynyl-6-fluoranyl-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-8-ethynyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-8-ethynyl-6-fluoro-7-[3-(methylaminomethyl)-1-pyrrolidinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-8-ethynyl-6-fluoro-7-[3-(methylaminomethyl)pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-8-ethynyl-6-fluoro-4-keto-7-[3-(methylaminomethyl)pyrrolidino]quinoline-3-carboxylic acid Formula: C24H20F3N3O3 MolecularWeight: 455.42911

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CNCC1CCN(C1)C2=C(C=C3C(=C2C#C)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F

Isomeric SMILES

CNCC1CCN(C1)C2=C(C=C3C(=C2C#C)N(C=C(C3=O)C(=O)O)C4=C(C=C(C=C4)F)F)F

InChI

InChI=1S/C24H20F3N3O3/c1-3-15-21-16(9-19(27)22(15)29-7-6-13(11-29)10-28-2)23(31)17(24(32)33)12-30(21)20-5-4-14(25)8-18(20)26/h1,4-5,8-9,12-13,28H,6-7,10-11H2,2H3,(H,32,33)