1-cyclopropyl-6-fluoranyl-7-[4-[3-(4-hydroxyphenyl)-3-oxidanylidene-propyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-7-[4-[3-(4-hydroxyphenyl)-3-oxidanylidene-propyl]piperazin-1-yl]-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-[4-[3-(4-hydroxyphenyl)-3-oxo-propyl]piperazin-1-yl]-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-7-[4-[3-(4-hydroxyphenyl)-3-oxopropyl]-1-piperazinyl]-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-7-[4-[3-(4-hydroxyphenyl)-3-oxopropyl]piperazin-1-yl]-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-[4-[3-(4-hydroxyphenyl)-3-keto-propyl]piperazino]-4-keto-quinoline-3-carboxylic acid Formula: C26H26FN3O5 MolecularWeight: 479.500143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H26FN3O5/c27-21-13-19-22(30(17-3-4-17)15-20(25(19)33)26(34)35)14-23(21)29-11-9-28(10-12-29)8-7-24(32)16-1-5-18(31)6-2-16/h1-2,5-6,13-15,17,31H,3-4,7-12H2,(H,34,35)