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

Systemtic Name: ethyl 6-fluoranyl-1-[(4-methylphenyl)methyl]-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: ethyl 6-fluoro-4-oxo-7-piperazin-1-yl-1-(p-tolylmethyl)quinoline-3-carboxylate CAS Name: 6-fluoro-1-[(4-methylphenyl)methyl]-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-1-[(4-methylphenyl)methyl]-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: 6-fluoro-4-keto-1-(4-methylbenzyl)-7-piperazino-quinoline-3-carboxylic acid ethyl ester Formula: C24H26FN3O3 MolecularWeight: 423.479943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)CC4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)N3CCNCC3)CC4=CC=C(C=C4)C

InChI

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