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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[4-(2-fluoranylethyl)-3-phenyl-piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-(2-fluoroethyl)-3-phenyl-piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-(2-fluoroethyl)-3-phenyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-(2-fluoroethyl)-3-phenylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-[4-(2-fluoroethyl)-3-phenyl-piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C25H25F2N3O3 MolecularWeight: 453.481106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(C(C4)C5=CC=CC=C5)CCF)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)N4CCN(C(C4)C5=CC=CC=C5)CCF)F)C(=O)O

InChI

InChI=1S/C25H25F2N3O3/c26-8-9-28-10-11-29(15-23(28)16-4-2-1-3-5-16)22-13-21-18(12-20(22)27)24(31)19(25(32)33)14-30(21)17-6-7-17/h1-5,12-14,17,23H,6-11,15H2,(H,32,33)