1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-[(4-fluorophenyl)methyl]-2-oxidanylidene-4-(4-thiophen-2-ylcarbonylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-[oxo(thiophen-2-yl)methyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-[(4-fluorophenyl)methyl]-2-oxo-4-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-(4-fluorobenzyl)-2-keto-4-[4-(2-thenoyl)piperazino]quinoline-3-carboxylic acid Formula: C26H22FN3O4S MolecularWeight: 491.533983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)F)C(=O)O)C(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C2=C(C(=O)N(C3=CC=CC=C32)CC4=CC=C(C=C4)F)C(=O)O)C(=O)C5=CC=CS5

InChI

InChI=1S/C26H22FN3O4S/c27-18-9-7-17(8-10-18)16-30-20-5-2-1-4-19(20)23(22(25(30)32)26(33)34)28-11-13-29(14-12-28)24(31)21-6-3-15-35-21/h1-10,15H,11-14,16H2,(H,33,34)