1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(pyrazin-2-ylcarbonylamino)methyl]piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(pyrazin-2-ylcarbonylamino)methyl]piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(pyrazine-2-carbonylamino)methyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[[[oxo(2-pyrazinyl)methyl]amino]methyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(pyrazine-2-carbonylamino)methyl]piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[(pyrazinoylamino)methyl]piperazino]quinoline-3-carboxylic acid Formula: C22H23FN6O4 MolecularWeight: 454.454223

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CNC(=O)C4=NC=CN=C4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)CNC(=O)C4=NC=CN=C4)F)C(=O)O

InChI

InChI=1S/C22H23FN6O4/c1-2-28-12-15(22(32)33)20(30)14-9-16(23)19(10-18(14)28)29-7-5-27(6-8-29)13-26-21(31)17-11-24-3-4-25-17/h3-4,9-12H,2,5-8,13H2,1H3,(H,26,31)(H,32,33)