1-ethyl-6-fluoranyl-7-[4-(4-methyl-2-phenyl-pyrimidin-5-yl)carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(4-methyl-2-phenyl-pyrimidin-5-yl)carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-7-[4-(4-methyl-2-phenyl-pyrimidine-5-carbonyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-7-[4-[(4-methyl-2-phenyl-5-pyrimidinyl)-oxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-7-[4-(4-methyl-2-phenylpyrimidine-5-carbonyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-(4-methyl-2-phenyl-pyrimidine-5-carbonyl)piperazino]quinoline-3-carboxylic acid Formula: C28H26FN5O4 MolecularWeight: 515.535543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CN=C(N=C4C)C5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CN=C(N=C4C)C5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C28H26FN5O4/c1-3-32-16-21(28(37)38)25(35)19-13-22(29)24(14-23(19)32)33-9-11-34(12-10-33)27(36)20-15-30-26(31-17(20)2)18-7-5-4-6-8-18/h4-8,13-16H,3,9-12H2,1-2H3,(H,37,38)