1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(2-thiophen-3-ylethanoyl)piperazin-1-yl]quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-(2-thiophen-3-ylethanoyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[2-(3-thienyl)acetyl]piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-[1-oxo-2-(3-thiophenyl)ethyl]-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-[4-(2-thiophen-3-ylacetyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-[4-[2-(3-thienyl)acetyl]piperazino]quinoline-3-carboxylic acid Formula: C23H22FN3O4S MolecularWeight: 455.501883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)CC5=CSC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C(=O)CC5=CSC=C5)F)C(=O)O

InChI

InChI=1S/C23H22FN3O4S/c24-18-10-16-19(27(15-1-2-15)12-17(22(16)29)23(30)31)11-20(18)25-4-6-26(7-5-25)21(28)9-14-3-8-32-13-14/h3,8,10-13,15H,1-2,4-7,9H2,(H,30,31)