4-[2-[[6-fluoranyl-8-(4-methylpiperazin-1-yl)-4-oxidanylidene-chromen-2-yl]carbonylamino]phenyl]piperazine-1-carboxylic acid

Systemtic Name: 4-[2-[[6-fluoranyl-8-(4-methylpiperazin-1-yl)-4-oxidanylidene-chromen-2-yl]carbonylamino]phenyl]piperazine-1-carboxylic acid Openeye Name: 4-[2-[[6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxo-chromene-2-carbonyl]amino]phenyl]piperazine-1-carboxylic acid CAS Name: 4-[2-[[[6-fluoro-8-(4-methyl-1-piperazinyl)-4-oxo-1-benzopyran-2-yl]-oxomethyl]amino]phenyl]-1-piperazinecarboxylic acid IUPAC Name: 4-[2-[[6-fluoro-8-(4-methylpiperazin-1-yl)-4-oxochromene-2-carbonyl]amino]phenyl]piperazine-1-carboxylic acid Traditional Name: 4-[2-[[6-fluoro-4-keto-8-(4-methylpiperazino)chromene-2-carbonyl]amino]phenyl]piperazine-1-carboxylic acid Formula: C26H28FN5O5 MolecularWeight: 509.529423

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C3C(=CC(=C2)F)C(=O)C=C(O3)C(=O)NC4=CC=CC=C4N5CCN(CC5)C(=O)O

Isomeric SMILES

CN1CCN(CC1)C2=C3C(=CC(=C2)F)C(=O)C=C(O3)C(=O)NC4=CC=CC=C4N5CCN(CC5)C(=O)O

InChI

InChI=1S/C26H28FN5O5/c1-29-6-8-31(9-7-29)21-15-17(27)14-18-22(33)16-23(37-24(18)21)25(34)28-19-4-2-3-5-20(19)30-10-12-32(13-11-30)26(35)36/h2-5,14-16H,6-13H2,1H3,(H,28,34)(H,35,36)