1-cyclopropyl-6-fluoranyl-7-[4-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[4-[2-(4-fluorophenyl)-2-oxidanylidene-ethyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-[2-(4-fluorophenyl)-2-oxo-ethyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-[2-(4-fluorophenyl)-2-oxoethyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-[2-(4-fluorophenyl)-2-oxoethyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-[4-[2-(4-fluorophenyl)-2-keto-ethyl]piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C25H23F2N3O4 MolecularWeight: 467.464626

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H23F2N3O4/c26-16-3-1-15(2-4-16)23(31)14-28-7-9-29(10-8-28)22-12-21-18(11-20(22)27)24(32)19(25(33)34)13-30(21)17-5-6-17/h1-4,11-13,17H,5-10,14H2,(H,33,34)