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

Systemtic Name: 1-ethyl-6-fluoranyl-7-[4-(4-fluorophenyl)carbonylpiperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: 1-ethyl-6-fluoro-7-[4-(4-fluorobenzoyl)piperazin-1-yl]-4-oxo-quinoline-3-carboxylate CAS Name: 1-ethyl-6-fluoro-7-[4-[(4-fluorophenyl)-oxomethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylate IUPAC Name: 1-ethyl-6-fluoro-7-[4-(4-fluorobenzoyl)piperazin-1-yl]-4-oxoquinoline-3-carboxylate Traditional Name: 1-ethyl-6-fluoro-7-[4-(4-fluorobenzoyl)piperazino]-4-keto-quinoline-3-carboxylate Formula: C23H20F2N3O4- MolecularWeight: 440.419406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F)F)C(=O)[O-]

Isomeric SMILES

CCN1C=C(C(=O)C2=CC(=C(C=C21)N3CCN(CC3)C(=O)C4=CC=C(C=C4)F)F)C(=O)[O-]

InChI

InChI=1S/C23H21F2N3O4/c1-2-26-13-17(23(31)32)21(29)16-11-18(25)20(12-19(16)26)27-7-9-28(10-8-27)22(30)14-3-5-15(24)6-4-14/h3-6,11-13H,2,7-10H2,1H3,(H,31,32)/p-1