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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[4-(2-hydroxyethyl)-3-phenyl-piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-(2-hydroxyethyl)-3-phenyl-piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-(2-hydroxyethyl)-3-phenyl-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-(2-hydroxyethyl)-3-phenylpiperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-[4-(2-hydroxyethyl)-3-phenyl-piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C25H26FN3O4 MolecularWeight: 451.490043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26FN3O4/c26-20-12-18-21(29(17-6-7-17)14-19(24(18)31)25(32)33)13-22(20)28-9-8-27(10-11-30)23(15-28)16-4-2-1-3-5-16/h1-5,12-14,17,23,30H,6-11,15H2,(H,32,33)