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

Systemtic Name: ethyl 6-fluoranyl-1-[(4-fluorophenyl)methyl]-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylate Openeye Name: ethyl 6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylate CAS Name: 6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-fluoro-1-[(4-fluorophenyl)methyl]-4-oxo-7-piperazin-1-ylquinoline-3-carboxylate Traditional Name: 6-fluoro-1-(4-fluorobenzyl)-4-keto-7-piperazino-quinoline-3-carboxylic acid ethyl ester Formula: C23H23F2N3O3 MolecularWeight: 427.443826

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)F

Isomeric SMILES

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

InChI

InChI=1S/C23H23F2N3O3/c1-2-31-23(30)18-14-28(13-15-3-5-16(24)6-4-15)20-12-21(27-9-7-26-8-10-27)19(25)11-17(20)22(18)29/h3-6,11-12,14,26H,2,7-10,13H2,1H3