1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(phenylcarbamoylamino)methyl]piperidin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-ethyl-6-fluoranyl-4-oxidanylidene-7-[4-[(phenylcarbamoylamino)methyl]piperidin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(phenylcarbamoylamino)methyl]-1-piperidyl]quinoline-3-carboxylic acid CAS Name: 7-[4-[[[anilino(oxo)methyl]amino]methyl]-1-piperidinyl]-1-ethyl-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-ethyl-6-fluoro-4-oxo-7-[4-[(phenylcarbamoylamino)methyl]piperidin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-ethyl-6-fluoro-4-keto-7-[4-[(phenylcarbamoylamino)methyl]piperidino]quinoline-3-carboxylic acid Formula: C25H27FN4O4 MolecularWeight: 466.504683

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(CC3)CNC(=O)NC4=CC=CC=C4)F)C(=O)O

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCC(CC3)CNC(=O)NC4=CC=CC=C4)F)C(=O)O

InChI

InChI=1S/C25H27FN4O4/c1-2-29-15-19(24(32)33)23(31)18-12-20(26)22(13-21(18)29)30-10-8-16(9-11-30)14-27-25(34)28-17-6-4-3-5-7-17/h3-7,12-13,15-16H,2,8-11,14H2,1H3,(H,32,33)(H2,27,28,34)