3-chloranylbenzoic acid; 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 3-chloranylbenzoic acid; 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoranyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 3-chlorobenzoic acid; 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 3-chlorobenzoic acid; 1-cyclopropyl-7-(4-ethyl-1-piperazinyl)-6-fluoro-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 3-chlorobenzoic acid; 1-cyclopropyl-7-(4-ethylpiperazin-1-yl)-6-fluoro-4-oxoquinoline-3-carboxylic acid Traditional Name: 3-chlorobenzoic acid; 1-cyclopropyl-7-(4-ethylpiperazino)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C26H27ClFN3O5 MolecularWeight: 515.961083

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F.C1=CC(=CC(=C1)Cl)C(=O)O

Isomeric SMILES

CCN1CCN(CC1)C2=C(C=C3C(=C2)N(C=C(C3=O)C(=O)O)C4CC4)F.C1=CC(=CC(=C1)Cl)C(=O)O

InChI

InChI=1S/C19H22FN3O3.C7H5ClO2/c1-2-21-5-7-22(8-6-21)17-10-16-13(9-15(17)20)18(24)14(19(25)26)11-23(16)12-3-4-12;8-6-3-1-2-5(4-6)7(9)10/h9-12H,2-8H2,1H3,(H,25,26);1-4H,(H,9,10)