1-cyclopropyl-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-5-phenylmethoxy-quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6,8-bis(fluoranyl)-7-(4-methylpiperazin-1-yl)-4-oxidanylidene-5-phenylmethoxy-quinoline-3-carboxylic acid Openeye Name: 5-benzyloxy-1-cyclopropyl-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6,8-difluoro-7-(4-methyl-1-piperazinyl)-4-oxo-5-phenylmethoxy-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6,8-difluoro-7-(4-methylpiperazin-1-yl)-4-oxo-5-phenylmethoxyquinoline-3-carboxylic acid Traditional Name: 5-benzoxy-1-cyclopropyl-6,8-difluoro-4-keto-7-(4-methylpiperazino)quinoline-3-carboxylic acid Formula: C25H25F2N3O4 MolecularWeight: 469.480506

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C3=C(C(=C2F)OCC4=CC=CC=C4)C(=O)C(=CN3C5CC5)C(=O)O)F

Isomeric SMILES

CN1CCN(CC1)C2=C(C3=C(C(=C2F)OCC4=CC=CC=C4)C(=O)C(=CN3C5CC5)C(=O)O)F

InChI

InChI=1S/C25H25F2N3O4/c1-28-9-11-29(12-10-28)22-19(26)21-18(23(31)17(25(32)33)13-30(21)16-7-8-16)24(20(22)27)34-14-15-5-3-2-4-6-15/h2-6,13,16H,7-12,14H2,1H3,(H,32,33)