6-fluoranyl-1-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-cinnoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-1-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-cinnoline-3-carboxylic acid Openeye Name: 6-fluoro-1-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-4-oxo-cinnoline-3-carboxylic acid CAS Name: 6-fluoro-1-(4-methoxyphenyl)-7-(4-methyl-1-piperazinyl)-4-oxo-3-cinnolinecarboxylic acid IUPAC Name: 6-fluoro-1-(4-methoxyphenyl)-7-(4-methylpiperazin-1-yl)-4-oxocinnoline-3-carboxylic acid Traditional Name: 6-fluoro-4-keto-1-(4-methoxyphenyl)-7-(4-methylpiperazino)cinnoline-3-carboxylic acid Formula: C21H21FN4O4 MolecularWeight: 412.414243

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2)N(N=C(C3=O)C(=O)O)C4=CC=C(C=C4)OC)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N(N=C(C3=O)C(=O)O)C4=CC=C(C=C4)OC)F

InChI

InChI=1S/C21H21FN4O4/c1-24-7-9-25(10-8-24)18-12-17-15(11-16(18)22)20(27)19(21(28)29)23-26(17)13-3-5-14(30-2)6-4-13/h3-6,11-12H,7-10H2,1-2H3,(H,28,29)