8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-(3-phenyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 8-chloro-1-cyclopropyl-6-fluoro-4-keto-7-(3-phenylpiperazino)quinoline-3-carboxylic acid Formula: C23H21ClFN3O3 MolecularWeight: 441.882543

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCNC(C4)C5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)N4CCNC(C4)C5=CC=CC=C5)F)C(=O)O

InChI

InChI=1S/C23H21ClFN3O3/c24-19-20-15(22(29)16(23(30)31)11-28(20)14-6-7-14)10-17(25)21(19)27-9-8-26-18(12-27)13-4-2-1-3-5-13/h1-5,10-11,14,18,26H,6-9,12H2,(H,30,31)