[1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinolin-3-yl] hydrogen carbonate

Systemtic Name: [1-cyclopropyl-6-fluoranyl-4-oxidanylidene-7-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinolin-3-yl] hydrogen carbonate Openeye Name: [7-[4-[(E)-cinnamyl]piperazin-1-yl]-1-cyclopropyl-6-fluoro-4-oxo-3-quinolyl] hydrogen carbonate CAS Name: carbonic acid [1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(E)-3-phenylprop-2-enyl]-1-piperazinyl]-3-quinolinyl] ester IUPAC Name: [1-cyclopropyl-6-fluoro-4-oxo-7-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]quinolin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [7-[4-[(E)-cinnamyl]piperazino]-1-cyclopropyl-6-fluoro-4-keto-3-quinolyl] ester Formula: C26H26FN3O4 MolecularWeight: 463.500743

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)CC=CC5=CC=CC=C5)F)OC(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(CC4)C/C=C/C5=CC=CC=C5)F)OC(=O)O

InChI

InChI=1S/C26H26FN3O4/c27-21-15-20-22(30(19-8-9-19)17-24(25(20)31)34-26(32)33)16-23(21)29-13-11-28(12-14-29)10-4-7-18-5-2-1-3-6-18/h1-7,15-17,19H,8-14H2,(H,32,33)/b7-4+