(6-chloranyl-1-cyclopropyl-8-fluoranyl-4-oxidanylidene-quinolin-3-yl) [3-(4-phenylphenyl)piperazin-1-yl] carbonate

Systemtic Name: (6-chloranyl-1-cyclopropyl-8-fluoranyl-4-oxidanylidene-quinolin-3-yl) [3-(4-phenylphenyl)piperazin-1-yl] carbonate Openeye Name: (6-chloro-1-cyclopropyl-8-fluoro-4-oxo-3-quinolyl) [3-(4-phenylphenyl)piperazin-1-yl] carbonate CAS Name: carbonic acid (6-chloro-1-cyclopropyl-8-fluoro-4-oxo-3-quinolinyl) [3-(4-phenylphenyl)-1-piperazinyl] ester IUPAC Name: (6-chloro-1-cyclopropyl-8-fluoro-4-oxoquinolin-3-yl) [3-(4-phenylphenyl)piperazin-1-yl] carbonate Traditional Name: carbonic acid (6-chloro-1-cyclopropyl-8-fluoro-4-keto-3-quinolyl) [3-(4-phenylphenyl)piperazino] ester Formula: C29H25ClFN3O4 MolecularWeight: 533.977903

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=CC(=C32)F)Cl)OC(=O)ON4CCNC(C4)C5=CC=C(C=C5)C6=CC=CC=C6

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=CC(=C32)F)Cl)OC(=O)ON4CCNC(C4)C5=CC=C(C=C5)C6=CC=CC=C6

InChI

InChI=1S/C29H25ClFN3O4/c30-21-14-23-27(24(31)15-21)34(22-10-11-22)17-26(28(23)35)37-29(36)38-33-13-12-32-25(16-33)20-8-6-19(7-9-20)18-4-2-1-3-5-18/h1-9,14-15,17,22,25,32H,10-13,16H2