[8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(3-phenylpiperazin-1-yl)quinolin-3-yl] hydrogen carbonate

Systemtic Name: [8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-(3-phenylpiperazin-1-yl)quinolin-3-yl] hydrogen carbonate Openeye Name: [8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-(3-phenylpiperazin-1-yl)-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-(3-phenyl-1-piperazinyl)-3-quinolinyl] ester IUPAC Name: [8-chloro-1-cyclopropyl-6-fluoro-4-oxo-7-(3-phenylpiperazin-1-yl)quinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [8-chloro-1-cyclopropyl-6-fluoro-4-keto-7-(3-phenylpiperazino)-3-quinolyl] ester Formula: C23H21ClFN3O4 MolecularWeight: 457.881943

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClFN3O4/c24-19-20-15(22(29)18(32-23(30)31)12-28(20)14-6-7-14)10-16(25)21(19)27-9-8-26-17(11-27)13-4-2-1-3-5-13/h1-5,10,12,14,17,26H,6-9,11H2,(H,30,31)