ethyl 6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylate

Systemtic Name: ethyl 6-fluoranyl-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-1-(phenylmethyl)quinoline-3-carboxylate Openeye Name: ethyl 1-benzyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylate CAS Name: 6-fluoro-7-(4-methyl-1-piperazinyl)-4-oxo-1-(phenylmethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 1-benzyl-6-fluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C24H26FN3O3 MolecularWeight: 423.479943

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCN(CC3)C)CC4=CC=CC=C4

InChI

InChI=1S/C24H26FN3O3/c1-3-31-24(30)19-16-28(15-17-7-5-4-6-8-17)21-14-22(20(25)13-18(21)23(19)29)27-11-9-26(2)10-12-27/h4-8,13-14,16H,3,9-12,15H2,1-2H3