1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-phenacyl-3-phenyl-piperazin-1-yl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(4-phenacyl-3-phenyl-piperazin-1-yl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(4-phenacyl-3-phenyl-piperazin-1-yl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(4-phenacyl-3-phenyl-1-piperazinyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(4-phenacyl-3-phenylpiperazin-1-yl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-4-keto-7-(4-phenacyl-3-phenyl-piperazino)quinoline-3-carboxylic acid Formula: C31H28FN3O4 MolecularWeight: 525.570123

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(C(C4)C5=CC=CC=C5)CC(=O)C6=CC=CC=C6)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(C(C4)C5=CC=CC=C5)CC(=O)C6=CC=CC=C6)F)C(=O)O

InChI

InChI=1S/C31H28FN3O4/c32-25-15-23-26(35(22-11-12-22)17-24(30(23)37)31(38)39)16-27(25)33-13-14-34(19-29(36)21-9-5-2-6-10-21)28(18-33)20-7-3-1-4-8-20/h1-10,15-17,22,28H,11-14,18-19H2,(H,38,39)