ethyl 1-cyclopropyl-6-fluoranyl-8-(hydroxymethyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-6-fluoranyl-8-(hydroxymethyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-6-fluoro-8-(hydroxymethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-8-(hydroxymethyl)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-6-fluoro-8-(hydroxymethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-methylol-7-(4-methylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C21H26FN3O4 MolecularWeight: 403.447243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(CC3)C)CO)C4CC4

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CCN(CC3)C)CO)C4CC4

InChI

InChI=1S/C21H26FN3O4/c1-3-29-21(28)15-11-25(13-4-5-13)18-14(20(15)27)10-17(22)19(16(18)12-26)24-8-6-23(2)7-9-24/h10-11,13,26H,3-9,12H2,1-2H3