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

Systemtic Name: ethyl 1-cyclopropyl-6-fluoranyl-8-(methoxymethyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 1-cyclopropyl-6-fluoro-8-(methoxymethyl)-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-8-(methoxymethyl)-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-6-fluoro-8-(methoxymethyl)-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-8-(methoxymethyl)-7-(4-methylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C22H28FN3O4 MolecularWeight: 417.473823

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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)COC)C4CC4

Isomeric SMILES

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

InChI

InChI=1S/C22H28FN3O4/c1-4-30-22(28)16-12-26(14-5-6-14)19-15(21(16)27)11-18(23)20(17(19)13-29-3)25-9-7-24(2)8-10-25/h11-12,14H,4-10,13H2,1-3H3