6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylic acid

Systemtic Name: 6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylic acid Openeye Name: 1-benzyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1-(phenylmethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-benzyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-benzyl-6-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C22H22FN3O3 MolecularWeight: 395.426783

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC4=CC=CC=C4)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)CC4=CC=CC=C4)F

InChI

InChI=1S/C22H22FN3O3/c1-24-7-9-25(10-8-24)20-12-19-16(11-18(20)23)21(27)17(22(28)29)14-26(19)13-15-5-3-2-4-6-15/h2-6,11-12,14H,7-10,13H2,1H3,(H,28,29)