1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-2-phenyl-7-piperazin-1-yl-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-2-phenyl-7-piperazin-1-yl-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-4-oxo-2-phenyl-7-piperazin-1-yl-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-4-oxo-2-phenyl-7-(1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-4-oxo-2-phenyl-7-piperazin-1-ylquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-2-phenyl-7-piperazino-quinoline-3-carboxylic acid Formula: C23H21F2N3O3 MolecularWeight: 425.427946

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C(=O)C3=CC(=C(C(=C32)F)N4CCNCC4)F)C(=O)O)C5=CC=CC=C5

Isomeric SMILES

C1CC1N2C(=C(C(=O)C3=CC(=C(C(=C32)F)N4CCNCC4)F)C(=O)O)C5=CC=CC=C5

InChI

InChI=1S/C23H21F2N3O3/c24-16-12-15-20(18(25)21(16)27-10-8-26-9-11-27)28(14-6-7-14)19(13-4-2-1-3-5-13)17(22(15)29)23(30)31/h1-5,12,14,26H,6-11H2,(H,30,31)