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

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-4-oxidanylidene-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-(3-phenyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-4-oxo-7-(3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6,8-difluoro-4-keto-7-(3-phenylpiperazino)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)N4CCNC(C4)C5=CC=CC=C5)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H21F2N3O3/c24-17-10-15-20(28(14-6-7-14)11-16(22(15)29)23(30)31)19(25)21(17)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)