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

Systemtic Name: 6-chloranyl-1-cyclopropyl-8-fluoranyl-4-oxidanylidene-7-[3-(4-phenylphenyl)piperazin-1-yl]quinoline-3-carboxylic acid Openeye Name: 6-chloro-1-cyclopropyl-8-fluoro-4-oxo-7-[3-(4-phenylphenyl)piperazin-1-yl]quinoline-3-carboxylic acid CAS Name: 6-chloro-1-cyclopropyl-8-fluoro-4-oxo-7-[3-(4-phenylphenyl)-1-piperazinyl]-3-quinolinecarboxylic acid IUPAC Name: 6-chloro-1-cyclopropyl-8-fluoro-4-oxo-7-[3-(4-phenylphenyl)piperazin-1-yl]quinoline-3-carboxylic acid Traditional Name: 6-chloro-1-cyclopropyl-8-fluoro-4-keto-7-[3-(4-phenylphenyl)piperazino]quinoline-3-carboxylic acid Formula: C29H25ClFN3O3 MolecularWeight: 517.978503

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCNC(C4)C5=CC=C(C=C5)C6=CC=CC=C6)Cl)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)F)N4CCNC(C4)C5=CC=C(C=C5)C6=CC=CC=C6)Cl)C(=O)O

InChI

InChI=1S/C29H25ClFN3O3/c30-23-14-21-26(34(20-10-11-20)15-22(28(21)35)29(36)37)25(31)27(23)33-13-12-32-24(16-33)19-8-6-18(7-9-19)17-4-2-1-3-5-17/h1-9,14-15,20,24,32H,10-13,16H2,(H,36,37)