8-[bis(fluoranyl)methyl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 8-[bis(fluoranyl)methyl]-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-(difluoromethyl)-6-fluoro-4-oxo-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-(difluoromethyl)-6-fluoro-4-oxo-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-(difluoromethyl)-6-fluoro-4-oxo-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-8-(difluoromethyl)-6-fluoro-4-keto-7-piperazino-quinoline-3-carboxylic acid Formula: C18H18F3N3O3 MolecularWeight: 381.34903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C(F)F)N4CCNCC4)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C(F)F)N4CCNCC4)F)C(=O)O

InChI

InChI=1S/C18H18F3N3O3/c19-12-7-10-14(13(17(20)21)15(12)23-5-3-22-4-6-23)24(9-1-2-9)8-11(16(10)25)18(26)27/h7-9,17,22H,1-6H2,(H,26,27)