ethyl 6-fluoranyl-1-[(4-methylphenyl)methyl]-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate

Systemtic Name: ethyl 6-fluoranyl-1-[(4-methylphenyl)methyl]-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 6-fluoro-7-(4-methylpiperazin-1-yl)-4-oxo-1-(p-tolylmethyl)quinoline-3-carboxylate CAS Name: 6-fluoro-1-[(4-methylphenyl)methyl]-7-(4-methyl-1-piperazinyl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-1-[(4-methylphenyl)methyl]-7-(4-methylpiperazin-1-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 6-fluoro-4-keto-1-(4-methylbenzyl)-7-(4-methylpiperazino)quinoline-3-carboxylic acid ethyl ester Formula: C25H28FN3O3 MolecularWeight: 437.506523

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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=C(C=C4)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28FN3O3/c1-4-32-25(31)20-16-29(15-18-7-5-17(2)6-8-18)22-14-23(21(26)13-19(22)24(20)30)28-11-9-27(3)10-12-28/h5-8,13-14,16H,4,9-12,15H2,1-3H3